瑞西美托
- 中文名称：
- 瑞西美托
- 中文别名：
- 瑞西美托
- 英文名称：
- Yohimban-16-carboxylicacid,18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-11,17-dimethoxy-,methyl ester, (3b,16b,17a,18b,20a)- (9CI)
- 英文别名：
- Rescimetol;
Yohimban-16-carboxylicacid,18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-11,17-dimethoxy-,methyl ester, (3b,16b,17a,18b,20a)- (9CI)
- CAS No.：
- 73573-42-9
- 分 子 式：
-
C33H38N2O8
- 分 子 量：
- 0
- 精确分子量：
- 590.26300
- PSA：
- 119.55000
- InChI：
- The Key: MMUMZMIKZXSFSD-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
瑞西美托 物化性质
- 密度：
- 1.35g/cm3
- 沸点：
- 738.7ºC at 760 mmHg
- 闪点：
- 400.6ºC
- 折射率：
- 1.646
瑞西美托 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ZG0899800
- CHEMICAL NAME :
- Yohimban-16-carboxylic acid,
18-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)o
xy)-11,17- dimethoxy-, methyl ester
- CAS REGISTRY NUMBER :
- 73573-42-9
- LAST UPDATED :
- 199203
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C33-H38-N2-O8
- MOLECULAR WEIGHT :
- 590.73
- WISWESSER LINE NOTATION :
- T F6 D5 C666 EM ON&&TTTJ HO1 SOV1U1R DQ CO1& TO1 UVO1
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 :
- >15 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 210 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >15 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >20 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >15 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 189 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >15 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >40 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: 6,APP-22,1982
瑞西美托 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）:4.2
2.氢键供体数量:2
3.氢键受体数量:9
4.可旋转化学键数量:9
5.互变异构体数量:5
6.拓扑分子极性表面积:120
7.重原子数量:43
8.表面电荷:0
9.复杂度:1020
10.同位素原子数量:0
11.确定原子立构中心数量:6
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
