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4-Hydroxy Propafenone-[d5] Hydrochloride

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General Information
Catalog: BLP-002915
CAS: 1189863-32-8
Molecular Formula: C21H22D5NO4.HCl
Molecular Weight: 398.94

Chemical Structure

Description	4-Hydroxy Propafenone-[d5] Hydrochloride is the labelled analogue of 4-Hydroxy Propafenone Hydrochloride, which is a metabolite of Propafenone.
Synonyms	4-Hydroxy Propafenone-d5 Hydrochloride; 1-[4-Hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenl]-3-phenyl-1-propanone-d5 Hydrochloride
IUPAC Name	1-[4-hydroxy-2-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
Related CAS	86383-31-5 (unlabelled) 1190042-96-6 (unlabelled free base)
Canonical SMILES	CCCNCC(COC1=C(C=CC(=C1)O)C(=O)CCC2=CC=CC=C2)O.Cl
InChI	InChI=1S/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-13-17(23)9-10-19(21)20(25)11-8-16-6-4-3-5-7-16;/h3-7,9-10,13,18,22-24H,2,8,11-12,14-15H2,1H3;1H/i14D2,15D2,18D;
InChI Key	WKRSKHMUIJZGKZ-CHHLNNTKSA-N
Melting Point	151-153 °C
Solubility	Soluble in DMSO
Appearance	Pale-Yellow Solid