Analyte Name

Asenapine Citrate

CAS Number

1411867-74-7

Molecular Formula

C17 H16 Cl N O . C6 H8 O7

Molecular Weight

477.892

Accurate Mass

477.119

SMILES

CN1C[C@H]2[C@H](C1)c3cc(Cl)ccc3Oc4ccccc24.OC(=O)CC(O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H16ClNO.C6H8O7/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-8,14-15H,9-10H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t14-,15-;/m1./s1

IUPAC

(2R,6R)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;2-hydroxypropane-1,2,3-tricarboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat