Azanator maleate (USAN)

Properties Image MNX_ID MNXM43122 reference keggD:D03027 formula C22H22N2O5 global charge 0 mol weight 394.427 InChIKey QXBGSDYYBBNBPB-BTJKTKAUSA-N InChI InChI=1S/C18H18N2O.C4H4O4/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18;5-3(6)1-2-4(7)8/h2-7,10H,8-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- SMILES CN1CCC(=C2C3=CC=CC=C3OC3=C2C=CC=N3)CC1.O=C(O)/C=C\C(=O)O MNX internals InChI (mnx) InChI=1/C18H18N2O.C4H4O4/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18;5-3(6)1-2-4(7)8/h2-7,10H,8-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- SMILES (mnx) [CH3:1][N:20]1[CH2:11][CH2:8][C:13](=[C:17]2[C:14]3=[CH:5][CH:2]=[CH:3][CH:7]=[C:16]3[O:21][C:18]3=[C:15]2[CH:6]=[CH:4][CH:10]=[N:19]3)[CH2:9][CH2:12]1.[CH:22](=[CH:23]\[C:25](=[O:28])[OH:29])\[C:24](=[O:26])[OH:27]

Parent-child relations graph

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