N-​[1-​(2-​Chlorophenyl)​-​2-​oxocyclohexyl]​-​carbamic-d6 Acid 1,​1-​Dimethylethyl Ester

CAS: 2177263-88-4

Ref. TR-C422207

Product Information

• Name: N-​[1-​(2-​Chlorophenyl)​-​2-​oxocyclohexyl]​-​carbamic-d6 Acid 1,​1-​Dimethylethyl Ester
• Synonyms: tert-Butyl (1-(2-Chlorophenyl)-2-oxocyclohexyl)carbamate-d6

Description

Applications N-​[1-​(2-​Chlorophenyl)​-​2-​oxocyclohexyl]​-​carbamic-d6 Acid 1,​1-​Dimethylethyl Ester is an intermediate in the synthesis of Hydroxynorketamine-d6 Hydrochloride (H949681). Hydroxynorketamine-d6 Hydrochloride, is labelled Hydroxynorketamine (H949680, HCl salt), a metabolite of Ketamine (K165300, HCl salt) which is a medication used mainly for starting and maintaining anesthesia.
References Adams, J., et al.: Biomed. Mass Spec., 11, 527 (1981); Sass, W.C., et al.: Anal. Profiles Drug Subs., 6, 297 (1977); Reich, D.L., et al.: Can. J. Anaesth., 36, 186 (1989)

• Brand: TRC

Chemical properties

• Molecular weight: 329.851
• Formula: C₁₇D₆H₁₆ClNO₃
• Color/Form: Neat
• InChI: InChI=1S/C17H22ClNO3/c1-16(2,3)22-15(21)19-17(11-7-6-10-14(17)20)12-8-4-5-9-13(12)18/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,21)/i6D2,7D2,11D2
• InChI key: InChIKey=VRZJVQFAJVIUAX-FCLGVVOLSA-N
• SMILES: [2H]C1([2H])CC(=O)C(NC(=O)OC(C)(C)C)(c2ccccc2Cl)C([2H])([2H])C1([2H])[2H]