10H-Pyrido[3,2-b][1,4]benzothiazine-10-carboxylicacid, 2-[2-(1-piperidinyl)ethoxy]ethyl ester
- 中文别名：匹哌氮酯
- 中文释义：匹哌氮酯
- 英文别名：2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate;
4-Aza-phenothiazin-10-carbonsaeure-piperidino-aethoxy-aethylester;
Pipazetato [INN-Spanish];
Pipazetate;
Pipazetatum [INN-Latin];
pipazethate;
Theratuss;
benzo[b]pyrido[2,3-e][1,4]thiazine-10-carboxylic acid 2-(2-piperidin-1-yl-ethoxy)-ethyl ester;
Lenopect
- CAS No.：2167-85-3
- 分子式：
C21H25N3O3S
- 分子量：399.5065
- 精确分子量：399.16200
- PSA：80.20000
- InChI：The Key: DTVJXCOMJLLMAK-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.26g/cm3
- 沸点：
- 553.3ºC at 760mmHg
- 闪点：
- 288.4ºC
- 折射率：
- 1.612
- 蒸汽压：
- 2.76E-12mmHg at 25°C
安全信息
- 密度：
- 1.26g/cm3
- 沸点：
- 553.3ºC at 760mmHg
- 闪点：
- 288.4ºC
- 折射率：
- 1.612
- 蒸汽压：
- 2.76E-12mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UU8485000
- CHEMICAL NAME :
- 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carboxylic acid, 2-(2-(1-piperidinyl)ethoxy) ethyl ester
- CAS REGISTRY NUMBER :
- 2167-85-3
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H25-N3-O3-S
- MOLECULAR WEIGHT :
- 399.55
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 94647 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 188,189,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 13140 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 188,189,1970
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:3.4
2.氢键供体数量:0
3.氢键受体数量:6
4.可旋转化学键数量:7
5.互变异构体数量:无
6.拓扑分子极性表面积:80.2
7.重原子数量:28
8.表面电荷:0
9.复杂度:503
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
