Analyte Name

Chloroquine-D10 Phosphate Salt

CAS Number

1261396-19-3

Molecular Formula

C18H16D10ClN3 • 2(H3O4P)

Molecular Weight

525.92

Accurate Mass

525.2

SMILES

O=P(O)(O)O.ClC1=CC=C2C(N=CC=C2NC(CCCN(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C)=C1.O=P(O)(O)O

InChI

InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)/i1D3,2D3,4D2,5D2;;

IUPAC

N4-(7-chloroquinolin-4-yl)-N1,N1-bis(ethyl-d5)pentane-1,4-diamine bis(phosphate)

Alternate CAS Number

1261396-19-3; free base: 1261395-21-4

Unlabelled CAS Number

50-63-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled; API

Product Format

Neat