155-91-9

• 常用中文名：磺胺间二甲氧嘧啶
• 常用英文名：Sulphamoprine
• CAS号：155-91-9
• 分子式：C₁₂H₁₄N₄O₄S
• 分子量：310.329
• 发布时间：2018-03-26 08:00:00
• 更新时间：2024-01-03 23:10:50
• 用作抗菌药

名称

• 中文名: 磺胺间二甲氧嘧啶
• 英文名: 4-amino-N-(4,6-dimethoxypyrimidin-2-yl)benzenesulfonamide
• 英文别名: Sulfanilsaeure-(4,6-dimethoxy-pyrimidin-2-ylamid); Sulphamoprine; Sulfadimethoxypyrimidine; 2-p-Aminobenzenesulfonamido-4,6-dimethoxypyrimidine; sulphadimethoxine; sulfadimethoxine; 4-Amino-N-(4,6-dimethoxy-2-pyrimidinyl)benzenesulfonamide; Benzenesulfonamide, 4-amino-N-(4,6-dimethoxy-2-pyrimidinyl)-; SDmP; sulfanilic acid-(4,6-dimethoxy-pyrimidin-2-ylamide); 6-(p-aminobenzenesulphonamido)-2,4-dimethoxypyrimidine; 4-Amino-N-(4,6-dimethoxypyrimidin-2-yl)benzenesulfonamide; Sulfamoprine; ICI 3435; Sulphadimethoxypyrimidine; 4-amino-N-(4,6-dimethoxy-pyrimidin-2-yl)-benzenesulfonamide

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 570.7±60.0 °C at 760 mmHg
• 熔点: 200ºC
• 分子式: C₁₂H₁₄N₄O₄S
• 分子量: 310.329
• 闪点: 298.9±32.9 °C
• 精确质量: 310.073578
• PSA: 124.81000
• LogP: 1.41
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.623
• 分子结构:

  1、 摩尔折射率：75.87

  2、 摩尔体积（cm³/mol）：215.2

  3、 等张比容（90.2K）：621.6

  4、 表面张力（dyne/cm）：69.5

  5、 极化率（10-24cm3）：30.07

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:8

  4.可旋转化学键数量:5

  5.互变异构体数量:2

  6.拓扑分子极性表面积125

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:408

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DA9495000 CHEMICAL NAME : Benzenesulfonamide, 4-amino-N-(4,6-dimethoxy-2-pyrimidinyl)- CAS REGISTRY NUMBER : 155-91-9 BEILSTEIN REFERENCE NO. : 0307123 LAST UPDATED : 199612 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C12-H14-N4-O4-S MOLECULAR WEIGHT : 310.36 WISWESSER LINE NOTATION : T6N CNJ BMSWR DZ& DO1 FO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 28 gm/kg/28D-I TOXIC EFFECTS : Liver - hepatitis (hepatocellular necrosis), zonal Blood - normocytic anemia Related to Chronic Data - death REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 2,149,1947 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 538 mg/kg SEX/DURATION : female 1-22 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Newborn - physical REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 23,305,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1 gm/kg SEX/DURATION : female 14 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - stillbirth REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 23,305,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 825 mg/kg SEX/DURATION : female 1-22 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 23,305,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 500 mg/kg SEX/DURATION : female 11-20 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - skin and skin appendages REFERENCE : EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 21,151,1965 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 2520 mg/kg SEX/DURATION : female 1-22 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 23,305,1964 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 2520 mg/kg SEX/DURATION : female 1-22 day(s) after conception lactating female 21 day(s) post-birth TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 23,305,1964

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38-43
• 安全声明 (欧洲): 26-36/37-24/25-23
• 海关编码: 2935009090

合成路线

24341-30-8 ~% 155-91-9

文献：Rose; Tuey Journal of the Chemical Society, 1946 , p. 81,84 Full Text Show Details Braker et al. Journal of the American Chemical Society, 1947 , vol. 69, p. 3072,3075 Full Text Show Details Leitch et al. Canadian Journal of Research, Section B: Chemical Sciences, 1947 , vol. 25, p. 14,17

121-60-8 ~% 155-91-9

文献：Leitch et al. Canadian Journal of Research, Section B: Chemical Sciences, 1947 , vol. 25, p. 14,17

上下游产品

上游产品  2
24341-30-8 121-60-8
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海关

海关编码	2935009090
中文概述	2935009090 其他磺（酰）胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
申报要素	品名, 成分含量, 用途
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%