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4'-Hydroxy Warfarin-[d4]

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General Information
Catalog: BLP-010573
CAS: 94820-63-0
Molecular Formula: C19H12D4O5
Molecular Weight: 328.35

Chemical Structure

Description	4'-Hydroxy Warfarin-[d4] is the labelled analogue of 4'-Hydroxy Warfarin, which is a metabolite of Warfarin in humans.
Synonyms	4'-Hydroxy Warfarin D4; 4-Hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one-5,6,7,8-d4; 3-(α-Acetonyl-p-hydroxybenzyl)-4-hydroxycoumarin-d4
IUPAC Name	5,6,7,8-tetradeuterio-4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Related CAS	24579-14-4 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=O)O2)C(CC(=O)C)C3=CC=C(C=C3)O)O)[2H])[2H]
Canonical SMILES	CC(=O)CC(C1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3OC2=O)O
InChI	InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3/i2D,3D,4D,5D
InChI Key	RRZWAMPDGRWRPF-QFFDRWTDSA-N
Melting Point	127-129°C
Purity	≥98%; ≥98% atom D
Solubility	Slightly soluble in Acetic Acid (Sonicated), DMSO, Ethyl Acetate
Appearance	Pale Yellow to Light Beige Solid
Storage	Store at -20°C