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CHEBI:87742 - (S)-warfarin potassium

ChEBI IDCHEBI:87742
ChEBI Name(S)-warfarin potassium
Stars
ASCII Name(S)-warfarin potassium
DefinitionAn organic potassium salt having 2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-4-olate as the counterion (the racemate is warfarin potassium, an anticoagulant drug and rodenticide).
Last Modified28 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC19H15O4.K
Net Charge0
Average Mass346.423
Monoisotopic Mass346.06074
SMILESCC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O.[K+]
InChIInChI=1S/C19H16O4.K/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1/t15-;/m0./s1
InChIKeyWSHYKIAQCMIPTB-RSAXXLAASA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-warfarin potassium (CHEBI:87742) has part (S)-warfarin(1−) (CHEBI:87744)
(S)-warfarin potassium (CHEBI:87742) is a organic potassium salt (CHEBI:50394)
(S)-warfarin potassium (CHEBI:87742) is enantiomer of (R)-warfarin potassium (CHEBI:87741)
Incoming Relation(s)
warfarin potassium (CHEBI:32301) has part (S)-warfarin potassium (CHEBI:87742)
(R)-warfarin potassium (CHEBI:87741) is enantiomer of (S)-warfarin potassium (CHEBI:87742)