loading...| Preferred Name |
(S)-warfarin |
|
| Synonyms |
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one 4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one (S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one (-)-warfarin (S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone levrowarfarin (S)-(-)-warfarin S-warfarin |
|
| Definitions |
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). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_87738 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:32601017 PDBeChem:SWF PMID:26161443 PMID:33341662 PMID:7354137 PMID:24962085 PMID:29433307 PMID:35699912 Reaxys:4298024 DrugBank:DB14055 PMID:35798369 CAS:5543-57-7 PMID:32680916 PMID:36914276 PMID:34579970 PMID:33754183 PMID:22493814 PMID:26142522 PMID:21949493 PMID:37598356 LINCS:LSM-5404 KEGG:C20129 PMID:35426132 |
|
| 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). |
|
| formula |
C19H16O4 |
|
| has exact synonym |
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one |
|
| has_alternative_id |
CHEBI:45816 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
4-hydroxy-3-[(1S)-3-oxo-1-phenylbutyl]-2H-chromen-2-one (S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one (-)-warfarin (S)-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2-benzopyrone levrowarfarin (S)-(-)-warfarin S-warfarin |
|
| id |
CHEBI:87738 |
|
| in_subset | ||
| 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 |
|
| is conjugate acid of | ||
| is enantiomer of | ||
| label |
(S)-warfarin |
|
| mass |
308.329 |
|
| monoisotopicmass |
308.10486 |
|
| notation |
CHEBI:87738 |
|
| prefLabel |
(S)-warfarin |
|
| smiles |
C1=CC=CC2=C1C(=C(C(O2)=O)[C@@H](CC(C)=O)C3=CC=CC=C3)O |
|
| subClassOf |