硫酸长春碱
Vinblastine Sulfate · CAS 143-67-9
- 中文名
- 硫酸长春碱
- 中文别名
- 暂无
- 英文名
- Vinblastine Sulfate
- CAS
- 143-67-9
- CID
- 5388983
- IUPAC 名称
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
名称与编号
- 中文名
- 硫酸长春碱
- 中文别名
- 暂无
- 英文名
- Vinblastine Sulfate
- CAS
- 143-67-9
- CID
- 5388983
- IUPAC 名称
- methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
分子属性
- 分子式
- C46H60N4O13S
- 分子量
- 909.1 g/mol
- 精确质量
- 908.38775915 Da
- 单同位素质量
- 908.38775915 Da
- XLogP
- 暂无
- 极性表面积
- 237 Ų
- 氢键供体
- 5
- 氢键受体
- 16
- 可旋转键
- 10
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1780
结构标识
- InChIKey
- KDQAABAKXDWYSZ-PNYVAJAMSA-N
- SMILES
- CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
- InChI
- InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1