Analyte Name

Asenapine-13C,d3 N-beta-D-Glucuronide Trifluoroacetic Acid Salt

Molecular Formula

C2413CH22D3ClF3NO9

Molecular Weight

579.93

SMILES

ClC1=CC=C2OC3=C(C=CC=C3)[C@@]4([H])[C@](C[N+]([C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)([13C]([2H])([2H])[2H])C4)([H])C2=C1.FC(F)(C([O-])=O)F

InChI

InChI=1S/C23H24ClNO7.C2HF3O2/c1-25(22-20(28)18(26)19(27)21(32-22)23(29)30)9-14-12-4-2-3-5-16(12)31-17-7-6-11(24)8-13(17)15(14)10-25;3-2(4,5)1(6)7/h2-8,14-15,18-22,26-28H,9-10H2,1H3;(H,6,7)/t14-,15-,18-,19-,20+,21-,22+,25?;/m0./s1/i1+1D3;

IUPAC

(2S,3S,4S,5R,6R)-6-[(2R,6R)-9-chloro-4-(trideuterio(113C)methyl)-13-oxa-4-azoniatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid;2,2,2-trifluoroacetate

Alternate CAS Number

1391745-10-0

Unlabelled CAS Number

1391745-10-0

SIL Type

Deuterium, Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite

Product Format

Neat