丝裂霉素B
- 中文名称:
- 丝裂霉素B
- 中文别名:
- 8-氮杂螺[4.5]癸烷-1-酮(9CI);
丝裂霉素B
- 英文名称:
- Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione,8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-,(1aS,8R,8aR,8bS)-
- 英文别名:
- mitomycin B;
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione,1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-,8-carbamate;
MITOMYCIN B;
CID4209;
Mitomycin B 0nnDiscontinued
- CAS No.:
- 4055-40-7
- 分 子 式:
-
C16H19N3O6
- 分 子 量:
- 349.38
- 精确分子量:
- 349.12700
- PSA:
- 122.17000
- InChI:
- The Key: UZUUQCBCWDBYCG-WEJZPAQOSA-N3
- 安全术语:
- Poison by intravenous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式:
-

- SDS:
- 查看
丝裂霉素B 物化性质
- 密度:
- 1.57g/cm3
- 沸点:
- 606.6ºC at 760mmHg
- 闪点:
- 320.6ºC
- 折射率:
- 1.674
- 蒸汽压:
- 3.03E-17mmHg at 25°C
丝裂霉素B 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CN0875000
- CAS REGISTRY NUMBER :
- 4055-40-7
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C16-H19-N3-O6
- MOLECULAR WEIGHT :
- 349.38
- WISWESSER LINE NOTATION :
- T D3 B556 BN EN JV MVTTT&J E1 GQ H1OVZ KO1 L1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Mammal - species unspecified Lymphocyte
- DOSE/DURATION :
- 60 umol/L
- REFERENCE :
- CJBIAE Canadian Journal of Biochemistry. (Ontario, Canada) V.42-60,
1964-82. For publisher information, see CJBBDU. Volume(issue)/page/year:
56,296,1978
丝裂霉素B 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:2
3.氢键受体数量:8
4.可旋转化学键数量:4
5.互变异构体数量:18
6.拓扑分子极性表面积:122
7.重原子数量:25
8.表面电荷:0
9.复杂度:787
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
丝裂霉素B 下游产品
(6-Methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8b-hexahydroazireno[ 2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate
丝裂霉素D
2-[4-[[4-[[(p-苯甲基)磺基基]氧代]-3-苯甲基]偶氮]苯胺基]-5-硝基苯磺化钠