Analyte Name

(S)-Hydroxychloroquine diphosphate

CAS Number

158749-76-9

Molecular Formula

C18 H26 Cl N3 O . 2 H3 O4 P

Molecular Weight

531.86

Accurate Mass

531.1302

SMILES

CCN(CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12.OP(=O)(O)O.OP(=O)(O)O

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)/t14-;;/m0../s1

IUPAC

2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethanol;phosphoric acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat