Analyte Name

Hydroxychloroquine-D4 Phosphate Salt

Molecular Formula

C18H22D4ClN3O . 2(H3PO4)

Molecular Weight

535.88

Accurate Mass

535.16

SMILES

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

InChI

InChI=1S/C18H26ClN3O.2H3O4P/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;2*1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);2*(H3,1,2,3,4)/i11D2,12D2;;

IUPAC

2-((4-((7-chloroquinolin-4-yl)amino)pentyl)(ethyl)amino)ethan-1,1,2,2-d4-1-ol

Alternate CAS Number

1854126-44-5 (Free base), 1854126-45-6 (sulfuric acid salt)

Unlabelled CAS Number

6168-85-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat