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Warfarin-[d5]

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Warfarin-[d5]

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General Information
Catalog: BLP-013877
CAS: 75472-93-4
Molecular Formula: C19H11D5O4
Molecular Weight: 313.37

Chemical Structure

Description	One of the isotopic labelled form of Warfarin, which is a kind of Coumarin anticoagulant.
Synonyms	4-Hydroxy-3-(3-oxo-1-phenyl-d5-butyl)-2H-1-benzopyran-2-one; 3-(α-Acetonylbenzyl)-4-hydroxy-coumarin-d5; Warf compound 42-d5; Rodex-d5; Sakarat X-d5
IUPAC Name	4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
Related CAS	81-81-2 (unlabelled)
Canonical SMILES	CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
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/i2D,3D,4D,7D,8D
InChI Key	PJVWKTKQMONHTI-ATTUOBAHSA-N
Melting Point	154-157 °C
Purity	95% by HPLC; 98% atom D
Appearance	Off White to Pale Yellow Solid