Analyte Name

Clocapramine Dihydrochloride-d10

Molecular Formula

C28H29D10Cl3N4O

Molecular Weight

564.06

Accurate Mass

562.28

SMILES

ClC1=CC=C2C(N(CCCN3CCC(N4C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C4([2H])[2H])(C(N)=O)CC3)C5=CC=CC=C5CC2)=C1.Cl.Cl

InChI

InChI=1S/C28H37ClN4O.2ClH/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H/i1D2,4D2,5D2,16D2,17D2;;

IUPAC

1'-(3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)-[1,4'-bipiperidine]-2,2,3,3,4,4,5,5,6,6-d10-4'-carboxamide dihydrochloride

Alternate CAS Number

2714418-51-4 (free base)

Unlabelled CAS Number

28058-62-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat