CAS: 143-67-9
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
SMILES:
CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O分子加工
分子式
C46H60N4O13S
分子量
909.07
精确质量
908.3878
XLogP
3.34
TPSA
228.7
氢键给体数
5
氢键受体数
14
可旋转键
7
重原子数
64
环数
9
芳香环
3
饱和环
3
脂环
6
立体中心
10
未定义立体
10
形式电荷
0
杂原子数
18
共价单元
2
sp3占比
0.587
摩尔折射率
234.61
补充信息
InChIKey: KDQAABAKXDWYSZ-PNYVAJAMSA-N
同义词
Vinblastine sulfate143-67-9VelsarAlkaban-aqVinblastine sulphateVLB monosulfate29060-LEVincaleucoblastine sulfateVinblastini sulfasNSC-49842N00W22YO2BVincaleukoblastine, sulfate (1:1) (salt)29060LE29060 LENSC 49842DTXSID601017133CHEBI:9984Vinblast,lederleSulfate, VinblastineRefChem:56475DTXCID7027831205-606-0Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-acetoxy-3a-ethyl-9-((5S,7R,9S)-5-ethyl-5-hydroxy-9-methoxycarbonyl-1,4,5,6,7,8,9,10-octahydro-3,7-methano-3-azacycloundecino(5,4-b)indol-9-yl)-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino(8,1-cd)carbazole-5-carboxylate monosulfateNSC49842Vincaleukoblastine sulfate (1:1) (salt)VelbeEXALVelbanvincaleukoblastine,sulfate(1:1)Vinblastine (sulfate)
参与 6 个反应→