刺凌德草碱
- 中文名称:
- 刺凌德草碱
- 中文别名:
- 刺凌德草碱
- 英文名称:
- Indicin
- 英文别名:
- indicine;
[(1r,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl]methyl(2r,3s)-2,3-dihydroxy-2-isopropylbutanoate;
2,3-Dihydroxy-2-(1-methylethyl)-butanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl) methyl ester;
lycopsamine;
INDICINE;
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
- CAS No.:
- 480-82-0
- 分 子 式:
-
C15H25NO5
- 分 子 量:
- 299.36
- 精确分子量:
- 299.17300
- PSA:
- 90.23000
- InChI:
- The Key: SFVVQRJOGUKCEG-CIAJSWIGSA-N3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-

- SDS:
- 查看
刺凌德草碱 物化性质
- 密度:
- 1.26g/cm3
- 沸点:
- 463.3ºC at 760 mmHg
- 闪点:
- 234ºC
- 折射率:
- 1.567
- 蒸汽压:
- 1.57E-10mmHg at 25°C
刺凌德草碱 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EK7789900
- CHEMICAL NAME :
- Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-,
(2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)met
hyl ester, (1R-(1a,7(2R*,3S*),7a-beta))-
- CAS REGISTRY NUMBER :
- 480-82-0
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C15-H25-N-O5
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 gm/kg/4W-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal
Blood - macrocytosis
Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
101,271,1989
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1350 mg/kg/9D-I
- TOXIC EFFECTS :
- Blood - macrocytosis
Related to Chronic Data - death
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
101,271,1989
刺凌德草碱 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):-0.4
2.氢键供体数量:3
3.氢键受体数量:6
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:90.2
7.重原子数量:21
8.表面电荷:0
9.复杂度:436
10.同位素原子数量:0
11.确定原子立构中心数量:4
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