(S)-warfarin (CHEBI:87738)

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ChEBI Name	(S)-warfarin

ChEBI ID	CHEBI:87738

ChEBI ASCII Name	(S)-warfarin

Definition	A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (S)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:45816

Supplier Information

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Formula

C19H16O4

Net Charge

Average Mass

308.329

Monoisotopic Mass

308.10486

InChI

InChI=1S/C19H16O4/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/t15-/m0/s1

InChIKey

PJVWKTKQMONHTI-HNNXBMFYSA-N

SMILES

C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)O

ChEBI Ontology
Outgoing	(S)-warfarin (CHEBI:87738) is a 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one (CHEBI:87732) (S)-warfarin (CHEBI:87738) is conjugate acid of (S)-warfarin(1−) (CHEBI:87744) (S)-warfarin (CHEBI:87738) is enantiomer of (R)-warfarin (CHEBI:87737)

Incoming	warfarin (CHEBI:10033) has part (S)-warfarin (CHEBI:87738) (S)-warfarin(1−) (CHEBI:87744) is conjugate base of (S)-warfarin (CHEBI:87738) (R)-warfarin (CHEBI:87737) is enantiomer of (S)-warfarin (CHEBI:87738)

IUPAC Name

4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one

Synonyms	Sources
(−)-warfarin	ChemIDplus
(S)-(−)-warfarin	LINCS
(S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone	ChemIDplus
(S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one	ChEBI
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one	PDBeChem
levrowarfarin	ChEBI
S-warfarin	ChEBI

Last Modified

07 November 2023