Quinine hydrochloride hydrate (JP18)

Properties Image Occurences in reactions MNX_ID MNXM160742 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C20H29ClN2O4 charge 0 mass 396.18159 reference keggD:D02261 InChIKey MPQKYZPYCSTMEI-WGGWNXAOSA-N InChI InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14?,19-,20+;;;/m0.../s1 SMILES C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl.O.O

Parent-child relations graph

Deprecated MNXref IDs graph