Chem
J-GLOBAL ID：200907036972551885   Nikkaji number：J328.171J

Vinorelbine

ビノレルビン
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： C45H54N4O8
Molecular formula furigana： C45-H54-N4-O8
Molecular weight： 778.947
InChI： InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37+,38-,39-,42-,43-,44+,45+/m1/s1
InChI key： GBABOYUKABKIAF-JKVZWNDSSA-N
SMILES： CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](OC(=O)C)[C@]1(O)C(=O)OC
Systematic name  (3)：
  • 3′,4′-ジデヒドロ-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)-12-エチル-4-[(12S,14S)-16-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),4,6,8,15-ペンタエン-12-イル]-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(7),3,5,13-テトラエン-10-カルボキシラート
  • methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(12S,14S)-16-ethyl-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Other name (5)：
  • Nor-5′-anhydrovinblastine
  • ノル-5′-アンヒドロビンブラスチン
  • 3′,4′-Didehydro-4′-deoxy-C′-norvincaleukoblastine
  • ビノレルビン
  • Vinorelbine
CAS registry number： 71486-22-1
KEGG DRUG： D08680
Application (1)：
antitumor drug
Thsaurus map：
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