58-74-2

• 常用中文名：罂粟碱
• 常用英文名：Papaverine
• CAS号：58-74-2
• 分子式：C₂₀H₂₂ClNO₄
• 分子量：375.84600
• 相关类别： 原料药 循环系统用药 周围血管扩张药
• 发布时间：2018-03-17 08:00:00
• 更新时间：2024-01-04 06:26:53

• 生化研究。平滑肌解痉剂，有扩张血管和抗哮喘作用。口服治疗胃肠道痉挛。用于脑血栓形成、肺栓塞、肢端动脉痉挛症及动脉栓塞性疼痛等。

名称

• 中文名: 罂粟碱
• 英文名: papaverine
• 中文别名: 1-(3,4-二甲氧基苄基)-6,7-二甲氧基异喹啉; 怕啪非林; 6,7-二甲氧-1-藜蘆基異喹啉
• 英文别名: PAPAVERINE HCL; PAPAVERINE; Robaxapap; papaverin; PAPAVERINE HYDROCHLORIDE; Papaverina; EINECS 200-397-2; Papanerine; MFCD00024138; papanerin; S-M-R

物化性质

• 密度: 1.161g/cm3
• 沸点: 483.2ºC at 760mmHg
• 熔点: 226ºC
• 分子式: C₂₀H₂₂ClNO₄
• 分子量: 375.84600
• 闪点: 172.2ºC
• 精确质量: 375.12400
• PSA: 49.81000
• LogP: 4.66200
• 折射率: 1.6250 (estimate)
• 储存条件:

  本品应密封避光保存。

• 水溶解性: H2O: 25 mg/mL
• 分子结构:

  1、 摩尔折射率：98.21

  2、 摩尔体积（m³/mol）：292.1

  3、 等张比容（90.2K）：742.9

  4、 表面张力（dyne/cm）：41.8

  5、 极化率（10 ^-24cm ³）：38.93

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.9

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积49.8

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:407

  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：白色棱柱体或针状结晶性粉末。无气味。

  2. 密度（g/mL,25/4℃）：1.337

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：147

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.625

  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：溶于热苯、苯胺、冰乙酸、丙酮，微溶于乙醇、乙醚、氯仿、四氯化碳和石油醚，几乎不溶于水。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NW8450000 CHEMICAL NAME : Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy- CAS REGISTRY NUMBER : 58-74-2 BEILSTEIN REFERENCE NO. : 0312930 LAST UPDATED : 199709 DATA ITEMS CITED : 21 MOLECULAR FORMULA : C20-H21-N-O4 MOLECULAR WEIGHT : 339.42 WISWESSER LINE NOTATION : T66 CNJ B1R CO1 DO1& HO1 IO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Human - man DOSE/DURATION : 1143 ug/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral 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 : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 59600 ug/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 : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 151 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 - rat DOSE/DURATION : 13300 ug/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 : 162 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 : 91 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 : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 170 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 : 25 mg/kg TOXIC EFFECTS : Behavioral - excitement Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 175 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 : Intradermal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Behavioral - excitement Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 120 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 : Mammal - cat DOSE/DURATION : 120 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 : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 190 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 - rabbit DOSE/DURATION : 250 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 : 25 mg/kg TOXIC EFFECTS : Behavioral - excitement Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Bird - pigeon DOSE/DURATION : 150 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 : Amphibian - frog DOSE/DURATION : 140 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 : Parenteral SPECIES OBSERVED : Amphibian - frog DOSE/DURATION : 225 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Cardiac - pulse rate Gastrointestinal - nausea or vomiting MUTATION DATA TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Rodent - mouse Cells - not otherwise specified DOSE/DURATION : 100 umol/L REFERENCE : JIDEAE Journal of Investigative Dermatology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1938- Volume(issue)/page/year: 66,313,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4373 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 563 (estimated) No. of Female Employees: 481 (estimated)

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S22
• 危险品运输编码: UN 1544 6.1/PG 3
• WGK德国: 1
• RTECS号: NW8575000
• 包装等级: II
• 危险类别: 6.1(a)
• 海关编码: 2933499090

合成路线

上下游产品

上游产品  8
13074-31-2 6957-27-3 1013931-27-5 7306-46-9
139-76-4 10313-60-7 33520-96-6 591-51-5
下游产品  10
99-50-3 494-99-5 144-62-7 74-89-5
20323-72-2 2246-26-6 120-14-9 2863-95-8
93-07-2 577-68-4

制备

自罂粟科植物罂粟(Papaver somniferum)或夹竹桃科植物蛇根木(Rauwolfia serpentina)分离的生物碱。

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%