1-甲基-6-甲氧基异喹啉醇
- 中文名称:
- 1-甲基-6-甲氧基异喹啉醇
- 中文别名:
- 1-甲基-6-甲氧基异喹啉醇
- 英文名称:
- Benzo[a]naphthacene-2-carboxylicacid, 8,13-dihydro-1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-
- 英文别名:
- 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid;
C30H28O7;
Benastatin A;
Benzo(a)naphthacene-2-carboxylic acid,8,13-dihydro-13,13-dimethyl-8-oxo-3-pentyl-1,7,9,11-tetrahydroxy
- CAS No.:
- 138968-85-1
- 分 子 式:
-
C30H28O7
- 分 子 量:
- 0
- 精确分子量:
- 500.18400
- PSA:
- 135.29000
- 分子结构式:
-

- SDS:
- 查看
1-甲基-6-甲氧基异喹啉醇 物化性质
- 密度:
- 1.398g/cm3
- 沸点:
- 772.7ºC at 760mmHg
- 闪点:
- 435ºC
- 折射率:
- 1.72
- 蒸汽压:
- 4.01E-25mmHg at 25°C
1-甲基-6-甲氧基异喹啉醇 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DI2110000
- CHEMICAL NAME :
- Benzo(a)naphthacene-2-carboxylic acid,
8,13-dihydro-13,13-dimethyl-8-oxo-3-pentyl-1,7,9,11-
tetrahydroxy-
- CAS REGISTRY NUMBER :
- 138968-85-1
- LAST UPDATED :
- 199312
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H28-O7
- MOLECULAR WEIGHT :
- 500.58
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8
Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968-
Volume(issue)/page/year: 45,1385,1992
1-甲基-6-甲氧基异喹啉醇 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):8.4
2.氢键供体数量:5
3.氢键受体数量:7
4.可旋转化学键数量:5
5.互变异构体数量:992
6.拓扑分子极性表面积:135
7.重原子数量:37
8.表面电荷:0
9.复杂度:872
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: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