Analyte Name

(S)-(+)-Hydroxy Chloroquine-d5 Diphosphate

Molecular Formula

C18H27D5ClN3O9P2

Molecular Weight

536.89

Accurate Mass

536.16

SMILES

ClC1=CC=C2C(N=CC=C2N[C@@H](C)CCCN(C([2H])([2H])C([2H])([2H])[2H])CCO)=C1.O=P(OO)=O.O=P(OO)=O.[HH].[HH]

InChI

InChI=1S/C18H26ClN3O.2HO4P.2H2/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*1-4-5(2)3;;/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);2*1H;2*1H/i1D3,3D2;;;;

IUPAC

phosphenoperoxoic acid--(S)-2-((4-((7-chloroquinolin-4-yl)amino)pentyl)(ethyl-d5)amino)ethan-1-ol--dihydrogen (1/1/2)

Unlabelled CAS Number

158749-76-9 (S-enantiomer); 137433-24-0 (free base, S-enantiomer)

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat