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6-Hydroxy Warfarin-[d5]

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General Information
Catalog: BLP-009720
CAS: 94820-64-1
Molecular Formula: C19H11O5D5
Molecular Weight: 329.37

Chemical Structure

Description	One of the isotopic labelled impurities of Warfarin, which is a kind of Coumarin anticoagulant.
Synonyms	4,6-Dihydroxy-3-[3-oxo-1-(phenyl-d5)butyl]-2H-1-benzopyran-2-one; 3-(α-Acetonylbenzyl)-4,6-dihydroxycoumarin-d5
IUPAC Name	4,6-dihydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
Related CAS	17834-02-5 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C(CC(=O)C)C2=C(C3=C(C=CC(=C3)O)OC2=O)O)[2H])[2H]
Canonical SMILES	CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3)O)OC2=O)O
InChI	InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/i2D,3D,4D,5D,6D
InChI Key	IQWPEJBUOJQPDE-VIQYUKPQSA-N
Purity	95% by HPLC; 98% atom D
Appearance	Solid