Analyte Name

Clozapine N-beta-D-Glucuronide

CAS Number

165602-86-8

Molecular Formula

C24 H27 Cl N4 O6

Molecular Weight

502.947

Accurate Mass

502.162

SMILES

C[N+]1(CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24)[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)C(=O)[O-]

InChI

InChI=1S/C24H27ClN4O6/c1-29(23-20(32)18(30)19(31)21(35-23)24(33)34)10-8-28(9-11-29)22-14-4-2-3-5-15(14)26-16-7-6-13(25)12-17(16)27-22/h2-7,12,18-21,23,30-32H,8-11H2,1H3,(H-,26,27,33,34)/t18?,19-,20?,21-,23+/m0/s1

IUPAC

(2S,3S,6R)-6-[4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat