Terminology Service for NFDI4Health
vincristine sulfate
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http://purl.obolibrary.org/obo/CHEBI_79401
An organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers.
Term info
Label
vincristine sulfate
Subsets
3_STAR
charge
0
formula
C46H58N4O10.O4S
has obo namespace
chebi_ontology
has related synonym
Vincasar, Marqibo, Oncovin, Vincrex
id
CHEBI:79401
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
mass
923.040
monoisotopicmass
922.36702
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-]