Analyte Name

Loxapine N-Glucuronide Chloride

CAS Number

145823-23-0

Molecular Formula

C24 H27 Cl N3 O7 . Cl

Molecular Weight

540.393

Accurate Mass

539.123

SMILES

[Cl-].C[N+]1(CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24)[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)C(=O)O

InChI

InChI=1S/C24H26ClN3O7.ClH/c1-28(23-20(31)18(29)19(30)21(35-23)24(32)33)10-8-27(9-11-28)22-14-12-13(25)6-7-16(14)34-17-5-3-2-4-15(17)26-22;/h2-7,12,18-21,23,29-31H,8-11H2,1H3;1H/t18?,19-,20?,21-,23+;/m0./s1

IUPAC

(2S,3S,6R)-6-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid;chloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Loxapine

Analytical Method

HPLC