vinorelbine L-tartrate (CHEBI:32296)

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CHEBI:32296 - vinorelbine L-tartrate

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ChEBI ID	CHEBI:32296
ChEBI Name	vinorelbine L-tartrate
Stars
ASCII Name	vinorelbine L-tartrate
Definition	The L-(+)-tartrate salt of vinorelbine.
Last Modified	28 July 2014
Downloads	Molfile

Formula	C45H54N4O8.2C4H6O6
Net Charge	0
Average Mass	1079.119
Monoisotopic Mass	1078.42704
SMILES	O=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
InChI	InChI=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;25-1(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;21-2,5-6H,(H,7,8)(H,9,10)/t28-,37-,38+,39+,42+,43+,44-,45+;2*1-,2-/m011/s1
InChIKey	CILBMBUYJCWATM-IJDPFCGHSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	vinorelbine L-tartrate (CHEBI:32296) has part vinorelbine (CHEBI:480999)
	vinorelbine L-tartrate (CHEBI:32296) has role antineoplastic agent (CHEBI:35610)
	vinorelbine L-tartrate (CHEBI:32296) 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 (2R,3R)-2,3-dihydroxybutanedioate

Synonyms	Source
Vinorelbine Bitartrate	DrugBank
Vinorelbine Ditartarate	DrugBank
Vinorelbine Ditartrate	DrugBank
3',4'-Didehydro-4'-deoxy-8'-norvincaleukoblastine L-(+)-tartrate (1:2)	ChemIDplus
Nor-5'-anhydrovinblastine ditartrate	ChemIDplus
Vinorelbine Tartrate	DrugBank

Manual Xrefs	Databases
DB00361	DrugBank
D01935	KEGG DRUG
CN101037446	Patent
CN1696135	Patent
CN1839800	Patent

Registry Numbers	Sources
Reaxys:7756070	Reaxys
CAS:125317-39-7	ChemIDplus
CAS:125317-39-7	KEGG DRUG

Citations