Chloroquine phosphate (USP)

Properties Image MNX_ID MNXM153419 reference keggD:D02125 formula C18H32ClN3O8P2 global charge 0 mol weight 515.868 InChIKey QKICWELGRMTQCR-UHFFFAOYSA-N 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) SMILES CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1.O=P(O)(O)O.O=P(O)(O)O MNX internals InChI (mnx) InChI=1/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)/t14?;; SMILES (mnx) [CH3:1][CH2:4][N:22]([CH2:5][CH3:2])[CH2:12][CH2:6][CH2:7][CH:14]([CH3:3])[NH:21][C:17]1=[C:16]2[CH:9]=[CH:8][C:15]([Cl:19])=[CH:13][C:18]2=[N:20][CH:11]=[CH:10]1.[OH:23][P:27]([OH:24])([OH:25])=[O:26].[OH:28][P:32]([OH:29])([OH:30])=[O:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0