Analyte Name

Rimonabant-13C,d7 Hydrochloride

Molecular Formula

13C C21 D7 H14 Cl3 N4 O . H Cl

Molecular Weight

508.284

Accurate Mass

506.102

SMILES

Cl.[2H]c1c([2H])c(c([2H])c([2H])c1Cl)c2c(c(nn2c3ccc(Cl)cc3Cl)C(=O)NN4CCCCC4)[13C]([2H])([2H])[2H]

InChI

InChI=1S/C22H21Cl3N4O.ClH/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15;/h5-10,13H,2-4,11-12H2,1H3,(H,27,30);1H/i1+1D3,5D,6D,7D,8D;

IUPAC

5-(4-chloro-2,3,5,6-tetradeuteriophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4-(trideuterio(113C)methyl)pyrazole-3-carboxamide;hydrochloride

Unlabelled CAS Number

158681-13-1

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat