Retigabine-d4 N-beta-D-Glucuronide

Product Specifications

Hazard Statement

Harmful if swallowed

Smiles

[2H]c1c([2H])c(CNc2ccc(NC(=O)OCC)c(N[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c2)c([2H])c([2H])c1F

Molecular Formula

C22 D4 H22 F N3 O8

Molecular Weight

483.48

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

Additionnal Information

IUPAC name: (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