Chemical Properties of Warfarin (CAS 81-81-2)

Warfarin

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)c2ccccc2oc1=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
  • 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-
  • 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
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Physical Properties

Property Value Unit Source
log10WS [-4.14; -3.89]   Show Hide
log10WS -4.14 Aq. Solubility Prediction
log10WS -3.89 Estimated Solubility
logPoct/wat 3.610 Crippen Calculated Property
McVol 230.770 ml/mol McGowan Calculated Property
Inp [2625.00; 2625.00]   Show Hide
Inp 2625.00 NIST
Inp 2625.00 NIST
Inp 2625.00 NIST
Tfus 433.95 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-. ACENOCOUMAROL. Phenprocoumon. Warfarin, pentafluoropropionate. WARFARIN METHYLATED. 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-. Warfarin, tert-butyldimethylsilyl ether. Warfarin, O-trimethylsilyl-. bromadiolone. Warfarin, heptafluorobutyrate. Coumafuryl. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Ni-TETMP complex. Hydroxy-N-methylcytisine. N-Desmethylmirtazapine.

Find more compounds similar to Warfarin.

Sources

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