9'-desmethylgranisetron

Properties Image MNX_ID MNXM1129433 reference chebi:174844 formula C17H22N4O global charge 0 mol weight 298.39 InChIKey GHVQAOGYNZNTIA-YHWZYXNKSA-N InChI InChI=1S/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11?,12-,13+ SMILES CN1[C@@H]2CCC[C@H]1CC(NC(=O)C1=NNC3=C1C=CC=C3)C2 MNX internals InChI (mnx) InChI=1/C17H22N4O/c1-21-12-5-4-6-13(21)10-11(9-12)18-17(22)16-14-7-2-3-8-15(14)19-20-16/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,20)/t11?,12-,13+ SMILES (mnx) [CH3:1][N:21]1[C@H:12]2[CH2:5][CH2:4][CH2:6][C@@H:13]1[CH2:10][CH:11]([NH:18][C:17]([C:16]1=[N:20][NH:19][C:15]3=[CH:8][CH:3]=[CH:2][CH:7]=[C:14]31)=[O:22])[CH2:9]2

Parent-child relations graph

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