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Phenylbutazone-[13C12]

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General Information
Catalog: BLP-011728
CAS: 1325559-13-4
Molecular Formula: C7[13C]12H20N2O2
Molecular Weight: 320.29

Chemical Structure

Description	Phenylbutazone-[13C12] is the labelled analogue of Phenylbutazone, which is a cyclooxygenase inhibitor and a nonsteroidal anti-inflammatory drug for the short-term treatment of pain and fever in animals.
Synonyms	Phenylbutazone-13C12; 4-Butyl-1,2-diphenyl-13C12-pyrazolidine-3,5-dione; 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione-13C12; 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine-13C12; Alindor-13C12; Alkazone-13C12; Antado-13C12l; Benzone-13C12; Betazed-13C12; Diphebuzol-13C12; Flexazone-13C12; Robizone-13C12; Shigrodin-13C12; Tencodyne-13C12; Uzone-13C12; VAC-10-13C12; Zolaphen-13C12; Phenylbutazone-(diphenyl-13C12)
IUPAC Name	4-butyl-1,2-di((1,2,3,4,5,6-13C6)cyclohexatrienyl)pyrazolidine-3,5-dione
Related CAS	50-33-9 (unlabelled)
Isomeric SMILES	CCCCC1C(=O)N(N(C1=O)[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2)[13C]3=[13CH][13CH]=[13CH][13CH]=[13CH]3
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/i4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,15+1,16+1
InChI Key	VYMDGNCVAMGZFE-ZDLJAUBWSA-N
Purity	95% by HPLC; 98% atom 13C
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at -20°C