mosapride citrate dihydrate

Properties Image MNX_ID MNXM158150 reference chebi:31867 formula C27H37ClFN3O12 global charge 0 mol weight 650.053 InChIKey KVKIQHMTGSGTFO-UHFFFAOYSA-N InChI InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2 SMILES CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2/t16?;;; SMILES (mnx) [CH2:30]([C:32](=[O:36])[OH:37])[C:35]([CH2:31][C:33](=[O:38])[OH:39])([C:34](=[O:40])[OH:41])[OH:42].[CH3:1][CH2:2][O:28][C:20]1=[CH:10][C:19]([NH2:24])=[C:18]([Cl:22])[CH:9]=[C:17]1[C:21](=[N:25][CH2:11][CH:16]1[CH2:13][N:26]([CH2:12][C:14]2=[CH:4][CH:6]=[C:15]([F:23])[CH:5]=[CH:3]2)[CH2:7][CH2:8][O:29]1)[OH:27].[OH2:43].[OH2:44]

Parent-child relations graph

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