emedastine difumarate

Properties Image MNX_ID MNXM155690 reference chebi:59865 formula C25H34N4O9 global charge 0 mol weight 534.566 InChIKey FWLKKPKZQYVAFR-SPIKMXEPSA-N InChI InChI=1S/C17H26N4O.2C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- SMILES CCOCCN1C2=CC=CC=C2N=C1N1CCCN(C)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O MNX internals InChI (mnx) InChI=1/C17H26N4O.2C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- SMILES (mnx) [CH3:1][CH2:3][O:22][CH2:14][CH2:13][N:21]1[C:16]2=[CH:8][CH:5]=[CH:4][CH:7]=[C:15]2[N:18]=[C:17]1[N:20]1[CH2:10][CH2:6][CH2:9][N:19]([CH3:2])[CH2:11][CH2:12]1.[CH:23](=[CH:24]\[C:26](=[O:29])[OH:30])\[C:25](=[O:27])[OH:28].[CH:31](=[CH:32]\[C:34](=[O:37])[OH:38])\[C:33](=[O:35])[OH:36]

Parent-child relations graph

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