西罗普利
- 中文名称：
- 西罗普利
- 中文别名：
- 西罗普利
- 英文名称：
- L-Proline,1-[(2S)-6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-
- 英文别名：
- 1-[6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]pyrrolidine-2-carboxylic acid;
Ceranapril;
CERONAPRIL;
SQ-29,852;
Ceronaprilum
- CAS No.：
- 111223-26-8
- 分 子 式：
-
C21H33N2O6P
- 分 子 量：
- 0
- 精确分子量：
- 440.20800
- PSA：
- 139.97000
- InChI：
- The Key: IFYLTXNCFVRALQ-OALUTQOASA-N3
- 分子结构式：
-
- SDS：
- 查看
西罗普利 物化性质
- 密度：
- 1.265g/cm3
- 沸点：
- 682.8ºC at 760 mmHg
- 闪点：
- 366.7ºC
- 折射率：
- 1.559
- 蒸汽压：
- 1.4E-19mmHg at 25°C
西罗普利 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TW3589050
- CHEMICAL NAME :
- L-Proline,
1-(6-amino-2-((hydroxy(4-phenylbutyl)phosphinyl)oxy)-
1-oxohexyl)-, (S)-
- CAS REGISTRY NUMBER :
- 111223-26-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C21-H33-N2-O6-P
- MOLECULAR WEIGHT :
- 440.53
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 20,3875,1992
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 20,3875,1992
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho
Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970-
Volume(issue)/page/year: 23,379,1992
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 720 mg/kg
- SEX/DURATION :
- female 6-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 22,3401,1994
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 31 gm/kg
- SEX/DURATION :
- female 15-45 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- REFERENCE :
- YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 22,3401,1994
西罗普利 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）:无
2.氢键供体数量:3
3.氢键受体数量:7
4.可旋转化学键数量:13
5.互变异构体数量:无
6.拓扑分子极性表面积:130
7.重原子数量:30
8.表面电荷:0
9.复杂度:596
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:2
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
