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4-Hydroxy Phenylbutazone-[d9]

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General Information
Catalog: BLP-002914
CAS: 1246819-23-7
Molecular Formula: C19H11D9N2O3
Molecular Weight: 333.43

Chemical Structure

Description	4-Hydroxy Phenylbutazone-[d9] is the labelled analogue of 4-Hydroxy Phenylbutazone, which is an impurity in the production of Phenylbutazone.
Synonyms	4-Hydroxy Phenylbutazone D9; 4-Butyl-4-hydroxy-1,2-diphenyl-3,5-pyrazolidinedione-d9; 1,2-Diphenyl-4-butyl-4-hydroxypyrazolidine-3,5-dione-d9; NSC 382672-d9
IUPAC Name	4-hydroxy-4-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-1,2-diphenylpyrazolidine-3,5-dione
Related CAS	16860-43-8 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
Canonical SMILES	CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI	InChI=1S/C19H20N2O3/c1-2-3-14-19(24)17(22)20(15-10-6-4-7-11-15)21(18(19)23)16-12-8-5-9-13-16/h4-13,24H,2-3,14H2,1H3/i1D3,2D2,3D2,14D2
InChI Key	VTEBWXHYBNAYKI-ABVHXWLASA-N
Melting Point	132-134 °C
Purity	> 98%
Solubility	Soluble in DMSO, Ethyl Acetate
Appearance	Off-white Solid
Storage	-20 °C