Analyte Name

((2R)-1-((4-((3-(benzenesulfonylmethyl)-5-methylphenoxy)methyl)phenyl)methyl)-2,5,5-trideuteriopyrrolidin-2-yl)-dideuteriomethanol hydrochloride

Molecular Formula

C27 D5 H26 N O4 S . H Cl

Molecular Weight

507.096

Accurate Mass

506.205

SMILES

Cl.[2H]C([2H])(O)[C@@]1([2H])CCC([2H])([2H])N1Cc2ccc(COc3cc(C)cc(CS(=O)(=O)c4ccccc4)c3)cc2

InChI

InChI=1S/C27H31NO4S.ClH/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29;/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3;1H/t25-;/m1./s1/i13D2,18D2,25D;

IUPAC

[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]-2,5,5-trideuteriopyrrolidin-2-yl]-dideuteriomethanol;hydrochloride

Unlabelled CAS Number

1706522-79-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat