b-D-Glucopyranoside, (3b,23b)-14,15,16,17-tetradehydro-23-hydroxyveratraman-3-yl
- 中文别名：藜芦托素
- 中文释义：藜芦托素
- 英文别名：veratrosine;
VERATROSINE;
14,15,16,17-Tetradehydro-23β-hydroxyveratraman-3β-yl β-D-glucopyranoside;
3-O-beta-D-Glucopyranosylveratramine;
Veratramine 3-glucoside;
Veratramine 3-O-glucoside
- CAS No.：475-00-3
- 分子式：C33H49NO7
- 分子量：0
- 精确分子量：571.35100
- PSA：131.64000
- InChI：The Key: WXQHVBNTINGJJR-NIFRNHPISA-N
- 分子结构式：
物化性质
- 熔点：
- 237.8-239.7℃ (methanol )
- 蒸汽压：
- 4.91E-23mmHg at 25°C
安全信息
- 熔点：
- 237.8-239.7℃ (methanol )
- 蒸汽压：
- 4.91E-23mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YX7050000
- CHEMICAL NAME :
- Veratrosine
- CAS REGISTRY NUMBER :
- 475-00-3
- BEILSTEIN REFERENCE NO. :
- 0071979
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C33-H49-N-O7
- MOLECULAR WEIGHT :
- 571.83
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 113,89,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 2,418,1953
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:1
3.氢键受体数量:1
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积:19
7.重原子数量:23
8.表面电荷:0
9.复杂度:455
10.同位素原子数量:0
11.确定原子立构中心数量:5
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
