Retigabine-d4 N-β-D-Glucuronide

CAS: 150812-13-8

Ref. TR-R189062

Product Information

• Name: Retigabine-d4 N-β-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[2-(ethoxycarbonylamino)-5-[(2,3,5,6-tetradeuterio-4-fluorophenyl)methylamino]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid, Carbamic acid, N-[2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester, hydrochloride (1:2), Carbamic acid, [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester, dihydrochloride, D 20443, Ethyl [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]carbamate Dihydrochloride, Ethyl {2-Amino-4-[(4-Fluorobenzyl)Amino]Phenyl}Carbamate Dihydrochloride, Ethyl {2-Amino-4-[(4-Fluorobenzyl)Amino]Phenyl}Carbamate Hydrochloride, N-(2-Amino-4-(4-fluorobenzylamino)phenyl)carbamic Acid Ethyl Ester Dihydrochloride, Retigabine 2HCl
• CAS: 150812-13-8

Description

Applications Labelled Retigabine N-β-D-Glucuronide, the major metabolite of the antiepileptic drug Retigabine (R189050) that is produced via N-glucuronidation in humans.
References Hiller, A. et al.: Drug Metab. Dispos., 27, 605 (1999); Borlak, J. et al.: Metab. Clin. Exp., 55, 711 (2006); McNeilly, P.P. et al.: Zenobiotica, 27, 431 (1997);

• Brand: TRC

Chemical properties

• Molecular weight: 483.48
• Formula: C₂₂H₂₂D₄FN₃O₈
• Color/Form: Neat
• InChI: InChI=1S/C22H26FN3O8/c1-2-33-22(32)26-14-8-7-13(24-10-11-3-5-12(23)6-4-11)9-15(14)25-20-18(29)16(27)17(28)19(34-20)21(30)31/h3-9,16-20,24-25,27-29H,2,10H2,1H3,(H,26,32)(H,30,31)/t16-,17-,18+,19-,20+/m0/s1/i3D,4D,5D,6D
• InChI key: InChIKey=AVGRGNFEIQMATO-FOENGYGWSA-N
• SMILES: [2H]c1c([2H])c(CNc2ccc(NC(=O)OCC)c(N[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)c([2H])c([2H])c1F