CHEBI:79401 - vincristine sulfate

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ChEBI Name vincristine sulfate
ChEBI ID CHEBI:79401
Definition An organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C46H58N4O10.O4S
Net Charge 0
Average Mass 923.040
Monoisotopic Mass 922.36702
InChI InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1
InChIKey AQTQHPDCURKLKT-JKDPCDLQSA-N
SMILES C1=C(C(=CC2=C1N([C@@]3([C@@]24[C@@]5([C@]([C@H]([C@]3(O)C(=O)OC)OC(C)=O)(C=CC[NH+]5CC4)CC)[H])[H])C=O)[C@@]6(C=7NC8=CC=CC=C8C7CC[NH+]9C[C@](C[C@@H](C9)C6)(O)CC)C(OC)=O)OC.O=S(=O)([O-])[O-]
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing vincristine sulfate (CHEBI:79401) has part vincristine(2+) (CHEBI:143658)
vincristine sulfate (CHEBI:79401) has role antineoplastic agent (CHEBI:35610)
vincristine sulfate (CHEBI:79401) is a organic sulfate salt (CHEBI:51337)
Brand Names Sources
Marqibo KEGG DRUG
Oncovin KEGG DRUG
Vincasar KEGG DRUG
Vincrex KEGG DRUG
Manual Xrefs Databases
C13974 KEGG COMPOUND
D02197 KEGG DRUG
View more database links
Registry Numbers Types Sources
2068-78-2 CAS Registry Number ChemIDplus
2068-78-2 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
23212117 PubMed citation Europe PMC
26661090 PubMed citation Europe PMC
27616886 PubMed citation Europe PMC
29540104 PubMed citation Europe PMC
30210349 PubMed citation Europe PMC
30239252 PubMed citation Europe PMC
Last Modified
09 August 2019