Chem
J-GLOBAL ID：200907014756333683   Nikkaji number：J933.869A

Vinflunine

ビンフルニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C45H54F2N4O8
Molecular formula furigana： C45-H54-F2-N4-O8
Molecular weight： 816.944
InChI： InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27-,36+,37-,38-,42-,43-,44+,45+/m1/s1
InChI key： NMDYYWFGPIMTKO-HBVLKOHWSA-N
SMILES： CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)c1cc(OC)c(cc41)[C@]1(C[C@H]3C[C@H](CN(C3)Cc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(=O)C)C(=O)OC
Systematic name  (3)：
  • 20′,20′-ジフルオロ-4′-デオキシ-C′-ノルビンカロイコブラスチン
  • メチル (1R,9R,10S,11R,12R,19R)-11-(アセチルオキシ)-4-[(12S,14R,16R)-16-(1,1-ジフルオロエチル)-12-(メトキシカルボニル)-1,10-ジアザテトラシクロ[12.3.1.03,11.04,9]オクタデカ-3(11),4,6,8-テトラエン-12-イル]-12-エチル-10-ヒドロキシ-5-メトキシ-8-メチル-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,13-テトラエン-10-カルボキシラート
  • methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(12S,14R,16R)-16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-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
Other name (3)：
  • ビンフルニン
  • Vinflunine
  • 20′,20′-Difluoro-4′-deoxy-C′-norvincaleukoblastine
CAS registry number： 162652-95-1
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