基本情報
- CAS
55324-79-3- 標準SMILES
CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)NCCO)C(O)C5(CC)C=CCN6CCC43C65)C2)C1- InChIKey
AJUBQFITBGMEDN-UHFFFAOYSA-N- 分子式
- C45H59N5O8
- 平均分子量
- 798 g/mol
- 単同位体質量
- 797.43636386
名称と識別子
- 優先名称
- Hydroxyethylvindesine
- IUPAC
- methyl 17-ethyl-13-[12-ethyl-10,11-dihydroxy-10-(2-hydroxyethylcarbamoyl)-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
名称と別名
Hydroxyethylvindesine55324-79-3BRN 0605139Deacetylvinblastine hydroxyethylamideN-(2-Hydroxyethyl)vindesineVincaleukoblastine, O(sup 4)-deacetyl-3-de(methoxycarbonyl)-3-(((2-hydroxyethyl)amino)carbonyl)-RefChem:348391methyl 17-ethyl-13-[12-ethyl-10,11-dihydroxy-10-(2-hydroxyethylcarbamoyl)-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylateorb1696973DTXSID00970658AKOS040752049methyl 5-ethyl-9-(3a-ethyl-4,5-dihydroxy-5-((2-hydroxyethyl)carbamoyl)-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazol-9-yl)-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indole-9-carboxylate
名称をさらに表示
T3211815-[5-Ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3,4-dihydroxy-N-(2-hydroxyethyl)-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboximidic acid
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 171 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 11
- 回転可能結合数
- 9
- 重原子数
- 58
- 形式電荷
- 0
- 複雑度
- 1,620
関連反応
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