58-55-9

• 常用中文名：茶碱
• 常用英文名：Theophylline
• CAS号：58-55-9
• 分子式：C₇H₈N₄O₂
• 分子量：180.164
• 相关类别： 原料药 呼吸系统用药 平喘药
• 发布时间：2018-02-05 08:00:00
• 更新时间：2024-01-02 11:33:32
• Theophylline是非选择性的磷酸二酯酶 (PDE)抑制剂,腺苷受体阻断剂,和组蛋白脱乙酰酶 (HDAC)活化剂。
• 茶碱是来自茶的甲基黄嘌呤衍生物，具有利尿，平滑肌松弛剂，支气管扩张，心脏和中枢神经系统兴奋剂活性。 茶碱可抑制降解CYCLIC AMP的3'，5'-环核苷酸磷酸二酯酶，从而加强通过ADENYLYL CYCLASES和环AMP发挥作用的药物的作用。

名称

• 中文名: 茶碱
• 英文名: theophylline
• 中文别名: 2,6-二氧-1,3-二甲基嘌呤; 1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮; 1,3-二甲基黄嘌呤; 无水茶碱
• 英文别名: Xanthium; LABID; Elixex; Theotard; duraphy; MFCD00079619; Theolair; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-; Slo-PhyllinTM; Theoclear; Teonova; Theon; [13C]-Theophyllin; Egifilin; X 115; Cetraphylline; Duraphyllin; Adisne; Theobid; Teosona; 1,3-Dimethylxanthine; Theophylline; 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; Etheophyl; Euphylong; austyn; Diffumal; Nuelin; Talotren; Theodel; Solosin; Elixophyllin; Pulmidur; Theoplus; Afonilum; Pulmo-Timelets; [14C]-Theophyllin; Diphyllin (VAN); LASMA; Physpan; Unifyl; 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; Bronchoretard; accurb; Slo-Phyllin; EINECS 200-385-7; Theal; Theona P; Euphylline; Bilordyl; unidur; 1,3-Dimethylpurine-2,6(1H,3H)-dione; Uniphyl; Theodrip; [3H]-Theophyllin; UNIPHYLLIN; asmax; Aerolate

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 454.1±37.0 °C at 760 mmHg
• 熔点: 271-273 °C
• 分子式: C₇H₈N₄O₂
• 分子量: 180.164
• 闪点: 228.4±26.5 °C
• 精确质量: 180.064728
• PSA: 72.68000
• LogP: -0.17
• 外观性状: 白色至灰白色结晶粉末
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.620
• 储存条件:

  本品应密封于阴凉干燥处避光保存。

• 稳定性: Stable. Incompatible with strong oxidizing agents.
• 水溶解性: 8.3 g/L (20 ºC)
• 分子结构:

  1、 摩尔折射率：43.14

  2、 摩尔体积（m³/mol）：122.9

  3、 等张比容（90.2K）：352.4

  4、 表面张力（dyne/cm）：67.6

  5、 极化率（10<st1:chmetcnv tcsc="0" numbertype="1" negative="Tru

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:4

  6.拓扑分子极性表面积69.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:267

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：白色结晶。无气味。味苦。

  2. 密度（g/mL,25/4℃）： 未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：270～274℃（一水合物）

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：1g产品溶于120ml水、80ml乙醇、约110ml氯仿，溶于热水、氢氧化碱溶液、氨水、稀盐酸和稀硝酸，微溶于乙醚。

生物活性

• 描述: Theophylline是非选择性的磷酸二酯酶 (PDE)抑制剂,腺苷受体阻断剂,和组蛋白脱乙酰酶 (HDAC)活化剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 腺苷受体
  信号通路 >> 自噬 >> 自噬
  信号通路 >> 代谢酶/蛋白酶 >> 磷酸二酯酶(PDE)
  天然产物 >> 生物碱
  研究领域 >> 其他
• 靶点:

  Human Endogenous Metabolite

• 参考文献:

  [1]. Deree J, et al. Insights into the regulation of TNF-alpha production in human mononuclear cells: the effects of non-specific phosphodiesterase inhibition. Clinics (Sao Paulo). 2008 Jun;63(3):321-8.

  [2]. Marques LJ, et al. Pentoxifylline inhibits TNF-alpha production from human alveolar macrophages. Am J Respir Crit Care Med. 1999 Feb;159(2):508-11.

  [3]. Daly JW, et al. Adenosine receptors: development of selective agonists and antagonists. Prog Clin Biol Res. 1987;230:41-63.

MSDS

Name: Theophylline Anhydrous U.S.P./N.F. Material Safety Data Sheet Synonym: 1,3-Dimethylxanthine; 3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione; 1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydropurin CAS: 58-55-9 Section 1 - Chemical Product MSDS Name:Theophylline Anhydrous U.S.P./N.F. Material Safety Data Sheet Synonym:1,3-Dimethylxanthine; 3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione; 1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydropurin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 58-55-9 Theophylline, Anhydrous >99 200-385-7 Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. May cause headache, nausea, fatigue, and dizziness. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 58-55-9: Russia: 0.5 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 270.00 - 274.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C7H8N4O2 Molecular Weight: 180.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 58-55-9: XH3850000 LD50/LC50: CAS# 58-55-9: Oral, mouse: LD50 = 235 mg/kg; Oral, rabbit: LD50 = 350 mg/kg; Oral, rat: LD50 = 225 mg/kg. Carcinogenicity: Theophylline, Anhydrous - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: S 22 Do not breathe dust. S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 58-55-9: 2 Canada CAS# 58-55-9 is listed on Canada's DSL List. CAS# 58-55-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 58-55-9 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH3850000 CHEMICAL NAME : Theophylline CAS REGISTRY NUMBER : 58-55-9 LAST UPDATED : 199801 DATA ITEMS CITED : 81 MOLECULAR FORMULA : C7-H8-N4-O2 MOLECULAR WEIGHT : 180.19 WISWESSER LINE NOTATION : T56 BM DN FNVNVJ F1 H1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 66 mg/kg TOXIC EFFECTS : Cardiac - change in rate Vascular - BP lowering not characterized in autonomic section Gastrointestinal - nausea or vomiting TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 108 mg/kg TOXIC EFFECTS : Endocrine - hyperglycemia Nutritional and Gross Metabolic - changes in potassium Nutritional and Gross Metabolic - metabolic acidosis TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 388 mg/kg TOXIC EFFECTS : Behavioral - coma Cardiac - change in rate Nutritional and Gross Metabolic - metabolic acidosis TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - infant DOSE/DURATION : 348 mg/kg/4D-I TOXIC EFFECTS : Behavioral - anorexia (human) Behavioral - irritability Lungs, Thorax, or Respiration - respiratory stimulation TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 5 mg/kg TOXIC EFFECTS : Behavioral - coma Cardiac - arrhythmias (including changes in conduction) Gastrointestinal - nausea or vomiting TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human DOSE/DURATION : 5 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature decrease TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 66 mg/kg TOXIC EFFECTS : Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting Gastrointestinal - contraction (isolated tissue) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 129 mg/kg TOXIC EFFECTS : Endocrine - hyperglycemia Nutritional and Gross Metabolic - changes in potassium Nutritional and Gross Metabolic - metabolic acidosis TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 130 mg/kg TOXIC EFFECTS : Biochemical - Metabolism (Intermediary) - other TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 86 mg/kg TOXIC EFFECTS : Cardiac - change in rate Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - respiratory stimulation TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - woman DOSE/DURATION : 281 mg/kg/4W TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - child DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Behavioral - headache Cardiac - pulse rate increase, without fall in BP Gastrointestinal - nausea or vomiting TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Human DOSE/DURATION : 3500 ug/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature decrease TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 10 mg/kg/D TOXIC EFFECTS : Behavioral - tremor Cardiac - arrhythmias (including changes in conduction) Gastrointestinal - nausea or vomiting TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - man DOSE/DURATION : 3429 ug/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - changes in structure or function of salivary glands TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Human - child DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Behavioral - excitement Cardiac - change in rate Lungs, Thorax, or Respiration - respiratory stimulation TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - woman DOSE/DURATION : 120 mg/kg/3D-C TOXIC EFFECTS : Cardiac - EKG changes not diagnostic of specified effects Biochemical - Metabolism (Intermediary) - other TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Human - man DOSE/DURATION : 12 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Rectal SPECIES OBSERVED : Human DOSE/DURATION : 6 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature decrease TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 225 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 188 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 325 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 240 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 235 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 70 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 138 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 136 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 271 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Rectal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 166 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 350 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 183 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 170 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 600 mg/kg/2W-I TOXIC EFFECTS : Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5175 mg/kg/13W-I TOXIC EFFECTS : Liver - changes in liver weight Kidney, Ureter, Bladder - urine volume increased Blood - changes in leukocyte (WBC) count TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 39900 mg/kg/19W-C TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4800 mg/kg/2W-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 10350 mg/kg/13W-I TOXIC EFFECTS : Brain and Coverings - changes in brain weight Liver - other changes Blood - pigmented or nucleated red blood cells TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 10050 mg/kg SEX/DURATION : male 67 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1500 mg/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 75335 mg/kg SEX/DURATION : male 95 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous DOSE : 1700 mg/kg SEX/DURATION : female 1-17 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 3 gm/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 4375 mg/kg SEX/DURATION : male 7 day(s) pre-mating female 7 day(s) pre-mating - 3 week(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - live birth index (measured after birth) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 3720 mg/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 175 mg/kg SEX/DURATION : female 13 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - body wall TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 200 mg/kg SEX/DURATION : female 13 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 225 mg/kg SEX/DURATION : female 13 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous DOSE : 18750 ug/kg SEX/DURATION : female 24-26 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - other neonatal measures or effects TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Sister chromatid exchange MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 7 mg/L REFERENCE : NEOLA4 Neoplasma. (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4- 1957- Volume(issue)/page/year: 33,699,1986 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 51,391,1991 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 51,391,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 51,391,1991 TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 TOXICOLOGY REVIEW FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 13,747,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0977 No. of Facilities: 1681 (estimated) No. of Industries: 3 No. of Occupations: 18 No. of Employees: 7418 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0977 No. of Facilities: 1091 (estimated) No. of Industries: 6 No. of Occupations: 13 No. of Employees: 29718 (estimated) No. of Female Employees: 21742 (estimated)

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