indacaterol maleate

Properties Image MNX_ID MNXM126705 reference chebi:68573 formula C28H32N2O7 global charge 0 mol weight 508.571 InChIKey IREJFXIHXRZFER-PCBAQXHCSA-N InChI InChI=1S/C24H28N2O3.C4H4O4/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1 SMILES CCC1=CC2=C(C=C1CC)CC(NC[C@H](O)C1=C3C=CC(=O)NC3=C(O)C=C1)C2.O=C(O)/C=C\C(=O)O MNX internals InChI (mnx) InChI=1/C24H28N2O3.C4H4O4/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;5-3(6)1-2-4(7)8/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-;/m0./s1 SMILES (mnx) [CH3:1][CH2:3][C:14]1=[CH:9][C:16]2=[C:17]([CH:10]=[C:15]1[CH2:4][CH3:2])[CH2:12][CH:18]([NH:25][CH2:13][C@@H:22]([C:19]1=[C:20]3[CH:6]=[CH:8][C:23]([OH:29])=[N:26][C:24]3=[C:21]([OH:27])[CH:7]=[CH:5]1)[OH:28])[CH2:11]2.[CH:30](=[CH:31]\[C:33](=[O:36])[OH:37])\[C:32](=[O:34])[OH:35]

Parent-child relations graph

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