CAS Registry Number®
81-81-2
CAS Name
(±)-Warfarin
Molecular Formula
C19H16O4
Molecular Mass
308.33
Compound Properties
-
Melting Point (1)
161 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
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
InChIKey
InChIKey=PJVWKTKQMONHTI-UHFFFAOYSA-N
SMILES
C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=CC=CC=C3
Canonical SMILES
O=C1OC=2C=CC=CC2C(O)=C1C(C=3C=CC=CC3)CC(=O)C
Other Names for this Substance
- 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-
- Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy-
- 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
- W.A.R.F. 42
- 3-(α-Acetonylbenzyl)-4-hydroxycoumarin
- Compound 42
- Coumafen
- Coumafene
- Coumefene
- Dethmor
- Kumader
- 3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin
- 3-(1′-Phenyl-2′-acetylethyl)-4-hydroxycoumarin
- Warfarin
- Zoocoumarin
- Kumadu
- Rodafarin
- 1-(4′-Hydroxy-3′-coumarinyl)-1-phenyl-3-butanone
- Athrombine-K
- WARF compound 42
- Ratron
- 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
- Brumolin
- Temus W
- Vampirinip II
- Ratron G
- Vampirinip III
- Kumatox
- Coumaphen
- Rodafarin C
- (±)-Warfarin
- (RS)-Warfarin
- rac-Warfarin
- DL-3-(α-Acetonylbenzyl)-4-hydroxycoumarin
Deleted or Replaced CAS Registry Numbers
5543-56-6, 56573-89-8