4-Desacetyl Vincristine 甲基(3aR,3a1R,4R,5S,5aR,10bR)-3a-乙基-9-((3R,5S,7R,9S)-5-乙基-5-羟基-9-(甲氧羰基)-1,4, 5,6,7,8,9,10-八氢-2H-3,7-甲醇[1]氮杂环十一烷基[5,4-b]吲哚-9-基)-6-甲酰基-4,5-二羟基-8-甲氧基-3a,3a1,4,5,5a,6,11,12-八氢-1H-中氮茚[8,1-cd]咔唑-5-羧酸盐 （长春新碱杂质）

CAS 3704-01-6 MFCD03704016

化学结构图

3704-01-6
SMILES: CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(O)C5(CC)C=CCN6CCC43C65)C2)C1

化学属性

Mol. Weight782.92
Mol. FormulaC44H54N4O9

别名和识别编码

CAS Number3704-01-6
Chemical Name4-Desacetyl Vincristine
Synonym Methyl (3aR,3a1R,4R,5S,5aR,10bR)-3a-ethyl-9-((3R,5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-4,5-dihydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate (Vincristine Impurity) {LY} Methyl (3aR,3a1R,4R,5S,5aR,10bR)-3a-ethyl-9-((3R,5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-4,5-dihydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate (Vincristine Impurity) {} {LY} Methyl (3aR,3a1R,4R,5S,5aR,10bR)-3a-ethyl-9-((3R,5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-6-formyl-4,5-dihydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate (Vincristine Impurity) {} {} {LY} Methyl (3aR,3a1R,4R,5S,5aR,10bR)-3a-eth
Chemical Name Translation甲基(3aR,3a1R,4R,5S,5aR,10bR)-3a-乙基-9-((3R,5S,7R,9S)-5-乙基-5-羟基-9-(甲氧羰基)-1,4, 5,6,7,8,9,10-八氢-2H-3,7-甲醇[1]氮杂环十一烷基[5,4-b]吲哚-9-基)-6-甲酰基-4,5-二羟基-8-甲氧基-3a,3a1,4,5,5a,6,11,12-八氢-1H-中氮茚[8,1-cd]咔唑-5-羧酸盐 （长春新碱杂质）
MDL NumberMFCD09840343
PubChem Substance ID13131998
InChIInChI=1S/C44H54N4O9/c1-6-40(53)21-26-22-43(38(51)56-4,34-28(13-17-46(23-26)24-40)27-11-8-9-12-31(27)45-34)30-19-29-32(20-33(30)55-3)48(25-49)36-42(29)15-18-47-16-10-14-41(7-2,35(42)47)37(50)44(36,54)39(52)57-5/h8-12,14,19-20,25-26,35-37,45,50,53-54H,6-7,13,15-18,21-24H2,1-5H3
Canonical SMILESCOC([C@@]1([C@@]2([H])[C@]3(C4=CC([C@@]5(C6=C(CC[N@@]7C[C@](C[C@](O)(C7)CC)([H])C5)C8=CC=CC=C8N6)C(OC)=O)=C(OC)C=C4N2C=O)[C@]9([H])[C@]([C@H]1O)(C=CCN9CC3)CC)O)=O
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分类

  • Amines
  • Chiral Reagents
  • Heterocycles
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,

产品应用

  • A metabolite of Vincristine in bile. Antitumor agent used against human colon carcinoma.

相关文献及参考

  • Houghton, J.A

安全信息

Storage condition

系列性分类

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