(±)-Warfarin sodium

C19H15NaO4CAS 129-06-6330.31 g/mol

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OO−OONa+
KetonePhenol

Properties

Molecular formula
C19H15NaO4
Molar mass
330.31 g/mol
Exact mass
330.0868 Da
logP
3.23Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
129-06-6
SMILES
CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

37 names · show all
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt (1:1)
  • Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy-, sodium salt
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt
  • Warfarin, sodium deriv.
  • 3-(α-Acetonylbenzyl)-4-hydroxycoumarin sodium
  • Athrombin
  • Coumadin sodium
  • Prothromadin
  • Panwarfin
  • Sodium coumadin
  • Sodium warfarin
  • Warfarin sodium
  • Warfarin sodium salt
  • Sodium, [[2-oxo-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-4-yl]oxy]-
  • Coumafene sodium
  • Varfine
  • Tintorane
  • Marevan
  • Waran
  • Warfilone
  • Coumadin
  • Ratsul soluble
  • Zoocoumarin sodium salt
  • Aldocumar
  • Coumadan sodico
  • Dimantil
  • Farin
  • Coumadine
  • Orfarin
  • Simarc 2
  • Sofarin
  • UniWarfin
  • Warfarina
  • Warfil 5
  • Marevam
  • Taro-warfarin
  • Warfant

Work with (±)-Warfarin sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(±)-Warfarin81-81-2Free acid (-)-Warfarin5543-57-7Free acid, defined stereoisomer

Similar compounds

(+-)-Coumachlor81-82-358 % similar (±)-Acenocoumarol152-72-756 % similar Phenprocoumon435-97-247 % similar Bromadiolone28772-56-737 % similar Difenacoum56073-07-533 % similar Coumatetralyl5836-29-333 % similar Dicoumarol66-76-232 % similar 3-Cyano-4-methylcoumarin24526-69-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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