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Phenprocoumon-[d5]

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General Information
Catalog: BLP-012519
CAS: 121513-38-0
Molecular Formula: C18H11D5O3
Molecular Weight: 285.35

Chemical Structure

Description	Phenprocoumon-[d5] is the labelled analogue of Phenprocoumon, which is a derivative of coumarin.
Synonyms	Phenprocoumon D5; 4-Hydroxy-3-[1-(phenyl-d5)propyl]-2H-1-Benzopyran-2-one; 3-(α-Ethylbenzyl)-4-hydroxy-coumarin-d5
IUPAC Name	4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one
Related CAS	435-97-2 (unlabelled)
Canonical SMILES	CCC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI	InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/i3D,4D,5D,8D,9D
InChI Key	DQDAYGNAKTZFIW-YQYLVRRTSA-N
Boiling Point	463.2±45.0 °C at 760 mmHg
Melting Point	176-178°C
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, DMSO, Ethyl Acetate
Appearance	Pale Yellow to Light Yellow Solid
Storage	Store at -20°C