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rac N-Desmethyl Mephenytoin-[d5]

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General Information
Catalog: BLP-013086
CAS: 119458-27-4
Molecular Formula: C11H7D5N2O2
Molecular Weight: 209.26

Chemical Structure

Description	rac N-Desmethyl Mephenytoin-[d5] is the labelled analogue of rac N-Desmethyl Mephenytoin, which is a metabolite of Mephentoin.
Synonyms	rac N-Desmethyl Mephenytoin D5; (+/-)-Nirvanol-d5; (+/-)-5-Ethyl-5-(phenyl-d5)hydantoin; (RS)-5-Ethyl-5-(phenyl-d5)-2,4-imidazolidinedione; 5-(Phenyl-d5)-5-ethylhydantoin; Desmethylmephenytoin-d5; Ethylphenylhydantoin-d5; NSC 150466-d5; NSC 33388-d5; Nirvanol-d5; Normephenytoin-d5
IUPAC Name	5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione
Related CAS	631-07-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)NC(=O)N2)CC)[2H])[2H]
Canonical SMILES	CCC1(C(=O)NC(=O)N1)C2=CC=CC=C2
InChI	InChI=1S/C11H12N2O2/c1-2-11(8-6-4-3-5-7-8)9(14)12-10(15)13-11/h3-7H,2H2,1H3,(H2,12,13,14,15)/i3D,4D,5D,6D,7D
InChI Key	UDTWZFJEMMUFLC-DKFMXDSJSA-N
Melting Point	186-189°C
Purity	≥96% by HPLC; ≥98% atom D
Solubility	Soluble in Chloroform (Slightly, Heated), Methanol (Slightly, Sonicated)
Appearance	White to Off-white Solid
Storage	Store at -20°C