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Oxyphenbutazone-[d9]

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General Information
Catalog: BLP-013073
CAS: 1189693-23-9
Molecular Formula: C19H11D9N2O3
Molecular Weight: 333.44

Chemical Structure

Description	Oxyphenbutazone-[d9] is the labelled analogue of Oxyphenbutazone, which is a metabolite of phenylbutazone used as a nonsteroidal anti-inflammatory drug (NSAID).
Synonyms	Oxyphenbutazone D9; 4-(Butyl-d9)-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione; 1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-(butyl-d9)pyrazolidine; Butapirone-d9; Californit-d9; Crovaril-d9; p-Hydroxyphenylbutazone-d9; Visubutina-d9
IUPAC Name	1-(4-hydroxyphenyl)-4-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-2-phenylpyrazolidine-3,5-dione
Related CAS	129-20-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Canonical SMILES	CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
InChI	InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3/i1D3,2D2,3D2,9D2
InChI Key	HFHZKZSRXITVMK-ZNZAITRCSA-N
Melting Point	114-117°C
Purity	≥95% by HPLC; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Pale Beige to Beige Solid
Storage	Store at -20°C under inert atmosphere