EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53750 - vinorelbine D-tartrate

ChEBI IDCHEBI:53750
ChEBI Namevinorelbine D-tartrate
Stars
ASCII Namevinorelbine D-tartrate
DefinitionThe D-(−)-tartrate salt of vinorelbine.
Last Modified4 December 2009
SubmitterSteve
DownloadsMolfile
FormulaC45H54N4O8.2C4H6O6
Net Charge0
Average Mass1079.119
Monoisotopic Mass1078.42704
SMILESO=C(O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@@H](O)[C@H](O)C(=O)O.[H][C@]12C=C(CC)CN(Cc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@]3([H])[C@]45CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]3(O)C(=O)OC)[C@]45[H])C1)C2
InChIInChI=1S/C45H54N4O8.2C4H6O6/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;2*5-1(3(7)8)2(6)4(9)10/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45+;2*1-,2-/m000/s1
InChIKeyCILBMBUYJCWATM-HGBQGYOLSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vinorelbine D-tartrate (CHEBI:53750) has part vinorelbine (CHEBI:480999)
vinorelbine D-tartrate (CHEBI:53750) has role antineoplastic agent (CHEBI:35610)
vinorelbine D-tartrate (CHEBI:53750) is a tartrate salt (CHEBI:50562)
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 (2S,3S)-2,3-dihydroxybutanedioate
Synonyms  Source
Vinorelbine BitartrateDrugBank
Vinorelbine DitartarateDrugBank
Vinorelbine DitartrateDrugBank
Vinorelbine TartrateDrugBank
Manual XrefsDatabases
DB00361DrugBank
Registry NumbersSources
Beilstein:9183997Beilstein