Hydroxyebastine

Properties Image MNX_ID MNXM8725 reference chebi:184055 formula C32H39NO3 global charge 0 mol weight 485.668 InChIKey UDZUMQUGNZBRMN-UHFFFAOYSA-N InChI InChI=1S/C32H39NO3/c1-32(2,24-34)28-17-15-25(16-18-28)30(35)14-9-21-33-22-19-29(20-23-33)36-31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,29,31,34H,9,14,19-24H2,1-2H3 SMILES CC(C)(CO)C1=CC=C(C(=O)CCCN2CCC(OC(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C=C1 MNX internals InChI (mnx) InChI=1/C32H39NO3/c1-32(2,24-34)28-17-15-25(16-18-28)30(35)14-9-21-33-22-19-29(20-23-33)36-31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,29,31,34H,9,14,19-24H2,1-2H3 SMILES (mnx) [CH3:1][C:32]([CH3:2])([CH2:24][OH:34])[C:28]1=[CH:18][CH:16]=[C:25]([C:30]([CH2:14][CH2:9][CH2:21][N:33]2[CH2:22][CH2:19][CH:29]([O:36][CH:31]([C:26]3=[CH:10][CH:5]=[CH:3][CH:6]=[CH:11]3)[C:27]3=[CH:12][CH:7]=[CH:4][CH:8]=[CH:13]3)[CH2:20][CH2:23]2)=[O:35])[CH:15]=[CH:17]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 4