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4'-O-Benzyl Oxyphenbutazone-[d9]

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General Information
Catalog: BLP-013577
CAS: 1246820-01-8
Molecular Formula: C26H17D9N2O3
Molecular Weight: 423.55

Chemical Structure

Description	4'-O-Benzyl Oxyphenbutazone-[d9] is the deuterium labelled form of 4'-O-Benzyl Oxyphenbutazone which is a protected precursor to labelled Oxyphenbutazone.
Synonyms	4-Butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]-3,5-pyrazolidinedione-d9; 1-[p-(Benzyloxy)phenyl]-4-butyl-2-phenyl-3,5-pyrazolidinedione-d9
IUPAC Name	4-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-1-phenyl-2-(4-phenylmethoxyphenyl)pyrazolidine-3,5-dione
Related CAS	31603-00-6 (unlabelled)
Canonical SMILES	CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI	InChI=1S/C26H26N2O3/c1-2-3-14-24-25(29)27(21-12-8-5-9-13-21)28(26(24)30)22-15-17-23(18-16-22)31-19-20-10-6-4-7-11-20/h4-13,15-18,24H,2-3,14,19H2,1H3/i1D3,2D2,3D2,14D2
InChI Key	VQAREFIHUMMGEN-ABVHXWLASA-N
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Pale Yellow Solid