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CHEBI:480999 - vinorelbine

ChEBI IDCHEBI:480999
ChEBI Namevinorelbine
Stars
DefinitionA vinca alkaloid with a norvinblastine skeleton.
Last Modified22 February 2017
DownloadsMolfile

FormulaC45H54N4O8
Net Charge0
Average Mass778.947
Monoisotopic Mass778.39416
SMILES[H][C@]12C=C(CC)CN(Cc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@]3([H])[C@@](O)(C(=O)OC)[C@]([H])(OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@]65[H])C1)C2
InChIInChI=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-/m0/s1
InChIKeyGBABOYUKABKIAF-IELIFDKJSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
methyl (2β,3β,4β,5α,12β,19α)-4-acetoxy-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
INNs  Source
vinorelbineKEGG DRUG
vinorelbina  esDrugBank
vinorelbinum  laDrugBank
Synonym  Source
Nor-5'-anhydrovinblastineChemIDplus
Manual XrefsDatabases
D08680KEGG DRUG
DB00361DrugBank
JP8031096Patent
US4307100Patent
2827DrugCentral
Registry NumbersSources
Beilstein:9035861Beilstein
CAS:71486-22-1KEGG DRUG
CAS:71486-22-1DrugBank
CAS:71486-22-1ChemIDplus