7-AMINOACTINOMYCIN D
- 中文别名:7-氨基放线菌素D
- 中文释义:7-氨基放线菌素D;7-AAD
- 英文别名:7-aminoactinomycin D;
2,7-diamino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide;
7-amino-AMD;
7-Aminodactinomycin;
Actinomycin D,7-amino;
7-Actinomycin C1;
7-amino-actinomycin-D
- CAS No.:7240-37-1
- 分子式:C62H87N13O16
- 分子量:1270.43
- 精确分子量:1269.64000
- PSA:386.00000
- MDL:MFCD00077295
- InChI:The Key: YXHLJMWYDTXDHS-IRFLANFNSA-N
- 分子结构式:
物化性质
- 外观与性状:
- 红色至暗紫色粉末
- 密度:
- 1.44 g/cm3
- 沸点:
- 1400.8ºC at 760 mmHg
- 闪点:
- 801ºC
- 折射率:
- 1.664
安全信息
- 外观与性状:
- 红色至暗紫色粉末
- 密度:
- 1.44 g/cm3
- 沸点:
- 1400.8ºC at 760 mmHg
- 闪点:
- 801ºC
- 折射率:
- 1.664
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AU1579000
- CHEMICAL NAME :
- Actinomycin D, 7-amino-
- CAS REGISTRY NUMBER :
- 7240-37-1
- LAST UPDATED :
- 199409
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C62-H87-N13-O16
- MOLECULAR WEIGHT :
- 1270.62
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
- TYPE OF TEST :
- DNA adduct
- TEST SYSTEM :
- Mammal - species unspecified Lymphocyte
- DOSE/DURATION :
- 3 umol/L
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,448,1983
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):3.1
2.氢键供体数量:6
3.氢键受体数量:19
4.可旋转化学键数量:8
5.互变异构体数量:1000
6.拓扑分子极性表面积382
7.重原子数量:91
8.表面电荷:0
9.复杂度:3070
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:10
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
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