7-Chloro-2-(chloromethyl)-5-phenyl-3H-benzo[e][1,4]diazepine 4-oxide-d5

Ref. TR-C433097

Product Information

• Name: 7-Chloro-2-(chloromethyl)-5-phenyl-3H-benzo[e][1,4]diazepine 4-oxide-d5

Description

Applications 7-Chloro-2-(chloromethyl)-5-phenyl-3H-benzo[e][1,4]diazepine 4-oxide-d5 is an intermediate in synthesizing N-Demethyl Chlordiazepoxide-d5 (D230827), a deuterium labelled analogue of N-Demethyl Chlordiazepoxide (D230825), which is the main metabolite of anxiolytic drug Chlordiazepoxide (C327050).
References MacDonald, A., et al.: Anal. Profiles Drug Subs., 1, 15 (1972); Greenblatt, D.J., et al.: Clin. Pharmacokinet., 3, 381 (1978); Barbone, F., et al.: Lancet, 352, 1331 (1998); Miki, A., et al.: J. Anal. Toxicol., 26, 87 (2002)

• Brand: TRC

Chemical properties

• Molecular weight: 324.216
• Formula: C₁₆H₇D₅Cl₂N₂O
• Color/Form: Yellow Solid
• InChI: InChI=1S/C16H12Cl2N2O/c17-9-13-10-20(21)16(11-4-2-1-3-5-11)14-8-12(18)6-7-15(14)19-13/h1-8H,9-10H2/i1D,2D,3D,4D,5D
• SMILES: [2H]c1c([2H])c([2H])c(C2=[N+]([O-])CC(CCl)=Nc3ccc(Cl)cc32)c([2H])c1[2H]