Irdabisant hydrochloride (USAN)

Properties Image MNX_ID MNXM156871 reference keggD:D10129 formula C18H24ClN3O2 global charge 0 mol weight 349.862 InChIKey WJUJICMNSMPLLG-PFEQFJNWSA-N InChI InChI=1S/C18H23N3O2.ClH/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17;/h5-10,14H,2-4,11-13H2,1H3,(H,20,22);1H/t14-;/m1./s1 SMILES C[C@@H]1CCCN1CCCOC1=CC=C(C2=NNC(=O)C=C2)C=C1.Cl MNX internals InChI (mnx) InChI=1/C18H23N3O2.ClH/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17;/h5-10,14H,2-4,11-13H2,1H3,(H,20,22);1H/t14-;/m1./s1 SMILES (mnx) [CH3:1][C@@H:14]1[CH2:4][CH2:2][CH2:11][N:21]1[CH2:12][CH2:3][CH2:13][O:23][C:16]1=[CH:8][CH:6]=[C:15]([C:17]2=[N:19][N:20]=[C:18]([OH:22])[CH:10]=[CH:9]2)[CH:5]=[CH:7]1.[ClH:24]

Parent-child relations graph

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