Analyte Name

N-Desmethyl Asenapine N-Carbamoyl Glucuronide

CAS Number

128923-28-4

Molecular Formula

C23 H22 Cl N O9

Molecular Weight

491.875

Accurate Mass

491.098

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)N2C[C@@H]3[C@@H](C2)c4cc(Cl)ccc4Oc5ccccc35)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C23H22ClNO9/c24-10-5-6-16-12(7-10)14-9-25(8-13(14)11-3-1-2-4-15(11)32-16)23(31)34-22-19(28)17(26)18(27)20(33-22)21(29)30/h1-7,13-14,17-20,22,26-28H,8-9H2,(H,29,30)/t13-,14-,17-,18-,19+,20-,22-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(2R,6R)-9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat