N-Desethyl Amodiaquine-d5 Dihydrochloride

Analyte Name

N-Desethylamodiaquine-D5 diHCl

CAS Number

1216894-33-5

Molecular Formula

C18 2H5 H13 Cl N3 O . 2 Cl H

Molecular Weight

405.76

Accurate Mass

404.0986

SMILES

Cl.Cl.[2H]C([2H])([2H])C([2H])([2H])NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O

InChI

InChI=1S/C18H18ClN3O.2ClH/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17;;/h3-10,20,23H,2,11H2,1H3,(H,21,22);2*1H/i1D3,2D2;;

IUPAC

4-[(7-chloroquinolin-4-yl)amino]-2-[(1,1,2,2,2-pentadeuterioethylamino)methyl]phenol;dihydrochloride

Unlabelled CAS Number

Free base: 79352-78-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Amodiaquine; Amodiaquine Hydrochloride

Purity

>95% (HPLC)