- 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
- InChI Key
- PJVWKTKQMONHTI-UHFFFAOYSA-N
- Formula
- C19H16O4
- SMILES
-
CC(=O)CC(c1ccccc1)c1c(O)c2cccc
c2oc1=O - Molecular Weight1
- 308.33
- CAS
- 81-81-2
- Other Names
-
- (+/-)-Warfarin
- (Phenyl-1 acetyl-2 ethyl) 3-hydroxy-4 coumarin
- (RS)-Warfarin
- 1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone
- 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-
- 3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin
- 3-(Acetonylbenzyl)-4-hydroxycoumarin
- 3-(Alpha-acetonylbenzyl)-4-hydroxycoumarin
- 3-(«alpha»-Acetonylbenzyl)-4-hydroxycoumarin
- 3-(«alpha»-Phenyl-«beta»-acetylaethyl)-4-hydroxycumarin
- 3-(«alpha»-Phenyl-«beta»-acetylethyl)-4-hydroxycoumarin
- 3-(«alpha»-Acetonylbenzyl)-4-hydroxycoumarin
- 3-(«alpha»-Phenyl-«beta»-acetylaethyl)-4-hydroxycumarin
- 3-(«alpha»-Phenyl-«beta»-acetylethyl)-4-hydroxycoumarin
- 4-Hydroxy-3-(3-oxo-1-fenyl-butyl) cumarine
- 4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-cumarin
- 4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one
- 4-Hydroxy-3-(3-oxo-1-phenylbutyl)coumarin
- 4-Idrossi-3-(3-oxo-1-fenil-butil)-cumarine
- Arab rat deth
- Athrombin-K
- Athrombine-K
- Brumolin
- Co-rax
- Compound 42
- Coumadin
- Coumafen
- Coumafene
- Coumaphen
- Coumarin, 3-(«alpha»-acetonylbenzyl)-4-hydroxy-
- Coumarin, 3-(«alpha»-acetonylbenzyl)-4-hydroxy-
- Coumarins
- Coumefene
- Cov-R-tox
- D-Con
- DL-3-(a-Acetonylbenzyl)-4-hydroxycoumarin
- Dethmor
- Dethnel
- Eastern states duocide
- Fasco fascrat powder
- Frass-Ratron
- Kumader
- Kumadu
- Kumatox
- Kypfarin
- Latka 42
- Liqua-tox
- Maag Rattentod Cum
- Mar-Frin
- Martin's mar-frin
- Maveran
- Mouse pak
- Panwarfin
- Prothromadin
- RAX
- RCRA Waste number P001
- Rat & mice bait
- Rat-B-gon
- Rat-Gard
- Rat-Kill
- Rat-Mix
- Rat-Ola
- Rat-Trol
- Rat-a-way
- Rat-o-cide No. 2
- Ratorex
- Ratox
- Ratoxin
- Ratron
- Ratron G
- Rats-no-more
- Ratten-Koederrohr
- Ratten-Koederrohr (German)
- Rattenstreupulver Neu Schacht
- Rattenstreupulver Neu Schacht (German)
- Rattentraenke
- Rattentraenke (German)
- Rattunal
- Rcr grey squirrel killer concentrate
- Ro-Deth
- Rodafarin
- Rodex
- Rodex blox
- Rosex
- Rough & ready mouse mix
- Sakarat
- Sewarin
- Solfarin
- Sorexa plus
- Spray-trol brand roden-trol
- Temus W
- Tox-hid
- Twin light rat away
- Vampirinip II
- Vampirinip III
- W.A.R.F. 42
- WARF compound 42
- Waran
- Warfarat
- Warfarin Q
- Warfarin plus
- Warfarine
- Warficide
- Zoocoumarin
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-4.14; -3.89] |
|
|
| log10WS | -4.14 | Aq. Sol... | |
| log10WS | -3.89 | Estimat... | |
| logPoct/wat | 3.610 | Crippen Calculated Property | |
| McVol | 230.770 | ml/mol | McGowan Calculated Property |
| Inp | [2625.00; 2625.00] |
|
|
| Inp | 2625.00 | NIST | |
| Inp | 2625.00 | NIST | |
| Inp | 2625.00 | NIST | |
| Tfus | 433.95 | K | Aq. Sol... |
Similar Compounds
Find more compounds similar to Warfarin.
Sources
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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