Dimepranol acedoben (USAN)

Properties Image MNX_ID MNXM155416 reference keggD:D03836 formula C14H22N2O4 global charge 0 mol weight 282.34 InChIKey FJFQBKRMSCKTSE-UHFFFAOYSA-N InChI InChI=1S/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3 SMILES CC(=O)NC1=CC=C(C(=O)O)C=C1.CC(O)CN(C)C MNX internals InChI (mnx) InChI=1/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3/t;5? SMILES (mnx) [CH3:14][CH:18]([CH2:17][N:19]([CH3:15])[CH3:16])[OH:20].[CH3:1][C:6](=[N:10][C:8]1=[CH:5][CH:3]=[C:7]([C:9]([OH:12])=[O:13])[CH:2]=[CH:4]1)[OH:11]

Parent-child relations graph

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