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CHEBI:79401 - vincristine sulfate

Default Structure
ChEBI IDCHEBI:79401
ChEBI Namevincristine sulfate
Stars
DefinitionAn organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers.
Last Modified27 October 2021
DownloadsMolfile
FormulaC46H58N4O10.O4S
Net Charge0
Average Mass923.051
Monoisotopic Mass922.36702
SMILESO=S(=O)([O-])[O-].[H][C@@]12N(C=O)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C[N@H+](CCc6c4nc4ccccc64)C[C@](O)(CC)C5)cc3[C@@]13CC[NH+]1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=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
InChIKeyAQTQHPDCURKLKT-JKDPCDLQSA-N
Roles Classification
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vincristine sulfate (CHEBI:79401) has part vincristine(2+) (CHEBI:143658)
vincristine sulfate (CHEBI:79401) has role antineoplastic agent (CHEBI:35610)
vincristine sulfate (CHEBI:79401) has role geroprotector (CHEBI:176497)
vincristine sulfate (CHEBI:79401) is a organic sulfate salt (CHEBI:51337)
Brand Names  Source
MarqiboKEGG DRUG
OncovinKEGG DRUG
VincasarKEGG DRUG
VincrexKEGG DRUG
Manual XrefsDatabases
C13974KEGG COMPOUND
D02197KEGG DRUG
DBSALT000314DrugBank
Registry NumbersSources
CAS:2068-78-2ChemIDplus
CAS:2068-78-2KEGG DRUG
CAS:2068-78-2KEGG COMPOUND
Citations