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Phenylbutazone-[diphenyl-d10]

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General Information
Catalog: BLP-012520
CAS: 1219794-69-0
Molecular Formula: C19H10D10N2O2
Molecular Weight: 318.44

Chemical Structure

Description	Phenylbutazone-[diphenyl-d10] is the labelled analogue of Phenylbutazone. Phenylbutazone is a nonsteroidal anti-inflammatory drug for the short-term treatment of pain and fever in animals.
Synonyms	Phenylbutazone(diphenyl-d10); 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione-d10; 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine-d10; Alindor-d10
IUPAC Name	4-butyl-1,2-bis(2,3,4,5,6-pentadeuteriophenyl)pyrazolidine-3,5-dione
Related CAS	50-33-9 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])N2C(=O)C(C(=O)N2C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])CCCC)[2H])[2H]
Canonical SMILES	CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI	InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3/i4D,5D,6D,7D,8D,9D,10D,11D,12D,13D
InChI Key	VYMDGNCVAMGZFE-MIPJZDBJSA-N
Melting Point	105-106°C
Purity	98% by HPLC; 98% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C