Xanomeline tartrate (USAN)

Properties Image MNX_ID MNXM162161 reference keggD:D06331 formula C18H29N3O7S global charge 0 mol weight 431.511 InChIKey SJSVWTMVMBGIHQ-LREBCSMRSA-N InChI InChI=1S/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 SMILES CCCCCCOC1=NSN=C1C1=CCCN(C)C1.O=C(O)[C@H](O)[C@@H](O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 SMILES (mnx) [C@@H:20]([C@H:21]([C:23](=[O:28])[OH:29])[OH:25])([C:22](=[O:26])[OH:27])[OH:24].[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:10][O:18][C:14]1=[N:16][S:19][N:15]=[C:13]1[C:12]1=[CH:8][CH2:7][CH2:9][N:17]([CH3:2])[CH2:11]1

Parent-child relations graph

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