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Acenocoumarol-[d4]

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Acenocoumarol-[d4]

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General Information
Catalog: BLP-012668
CAS: 1185071-64-0
Molecular Formula: C19H11D4NO6
Molecular Weight: 357.35

Chemical Structure

Description	Acenocoumarol-[d4] is the labelled analogue of Acenocoumarol. Acenocoumarol is an anticoagulant drug that acts via inhibiting the reduction of vitamin K.
Synonyms	Acenocoumarol-d4; 4-Hydroxy-3-[1-(4-Nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one-d4
IUPAC Name	4-hydroxy-3-[3-oxo-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)butyl]chromen-2-one
Related CAS	152-72-7 (unlabelled)
Canonical SMILES	CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O
InChI	InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3/i6D,7D,8D,9D
InChI Key	VABCILAOYCMVPS-YKVCKAMESA-N
Boiling Point	592.7±50.0 °C at 760 mmHg
Melting Point	196-199°C
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in Chloroform, Ethanol
Appearance	White Crystalline Solid