155-91-9

155-91-9结构式
155-91-9结构式
  • 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

化源商城直购

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
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

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

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

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155-91-9结构式

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

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155-91-9结构式

155-91-9

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