Analyte Name

Promethazine N-beta-D-Glucuronide

CAS Number

137908-81-7

Molecular Formula

C23 H28 N2 O6 S

Molecular Weight

460.543

Accurate Mass

460.167

SMILES

CC(CN1c2ccccc2Sc3ccccc13)[N+](C)(C)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)[O-]

InChI

InChI=1S/C23H28N2O6S/c1-13(25(2,3)22-20(28)18(26)19(27)21(31-22)23(29)30)12-24-14-8-4-6-10-16(14)32-17-11-7-5-9-15(17)24/h4-11,13,18-22,26-28H,12H2,1-3H3/t13?,18-,19-,20+,21-,22+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[dimethyl(1-phenothiazin-10-ylpropan-2-yl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat