lisuride maleate

Properties Image MNX_ID MNXM157444 reference chebi:31776 formula C24H30N4O5 global charge 0 mol weight 454.527 InChIKey CVQFAMQDTWVJSV-BAXNFHPCSA-N InChI InChI=1S/C20H26N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,18+;/m0./s1 SMILES CCN(CC)C(=O)N[C@H]1C=C2C3=C4C(=CNC4=CC=C3)C[C@H]2N(C)C1.O=C([O-])/C=C\C(=O)[O-].[H+].[H+] MNX internals InChI (mnx) InChI=1/C20H26N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,18+;/m0./s1 SMILES (mnx) [CH3:1][CH2:4][N:24]([CH2:5][CH3:2])[C:20](=[N:22][C@H:14]1[CH:10]=[C:16]2[C:15]3=[C:19]4[C:13](=[CH:11][NH:21][C:17]4=[CH:8][CH:6]=[CH:7]3)[CH2:9][C@H:18]2[N:23]([CH3:3])[CH2:12]1)[OH:25].[CH:26](=[CH:27]\[C:29](=[O:32])[OH:33])\[C:28](=[O:30])[OH:31]

Parent-child relations graph

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