b-Alanine,2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-a-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethylester, hydrochloride (9CI)
- 中文别名：盐酸加柔比星
- 中文释义：盐酸加柔比星
- 英文别名：[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate,hydrochloride;
DA 125;
[2-[(2S,4S)-4-[(2R,3R,4R,5S,6S)-3-Fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 3-aminopropanoate hydrochloride;
Galarubicin hydrochloride
- CAS No.：140637-82-7
- 分子式：C30H32FNO13.ClH
- 分子量：670.03
- 精确分子量：669.16200
- PSA：232.37000
- 分子结构式：
物化性质
- 沸点：
- 864.9ºC at 760mmHg
- 闪点：
- 476.9ºC
- 蒸汽压：
- 6.38E-32mmHg at 25°C
安全信息
- 沸点：
- 864.9ºC at 760mmHg
- 闪点：
- 476.9ºC
- 蒸汽压：
- 6.38E-32mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AY5075420
- CHEMICAL NAME :
- beta-Alanine, 2-(4-((2,6-dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy )-1,2,3,4,6,11-hexahy dro- 2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl )-2-oxoethyl ester, hydrochloride, (2S-cis)-
- CAS REGISTRY NUMBER :
- 140637-82-7
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H32-F-N-O13.Cl-H
- MOLECULAR WEIGHT :
- 670.09
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 11 mg/kg
- SEX/DURATION :
- female 7-17 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
- REFERENCE :
- REPTED Reproductive Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1987- Volume(issue)/page/year: 9,159,1995
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:7
3.氢键受体数量:15
4.可旋转化学键数量:9
5.互变异构体数量:54
6.拓扑分子极性表面积:232
7.重原子数量:46
8.表面电荷:0
9.复杂度:1160
10.同位素原子数量:0
11.确定原子立构中心数量:7
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:2
