EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79401 - vincristine sulfate

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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
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
VincrexKEGG DRUG
VincasarKEGG DRUG
OncovinKEGG DRUG
Manual XrefsDatabases
D02197KEGG DRUG
C13974KEGG COMPOUND
DBSALT000314DrugBank
Registry NumbersSources
CAS:2068-78-2KEGG COMPOUND
CAS:2068-78-2KEGG DRUG
CAS:2068-78-2ChemIDplus
Citations