Oglufanide disodium (USAN)

Properties Image MNX_ID MNXM158972 reference keggD:D05235 formula C16H17N3Na2O5 global charge 0 mol weight 377.308 InChIKey GDLPAGOVHZLZEK-JBUFHSOLSA-L InChI InChI=1S/C16H19N3O5.2Na/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;;/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24);;/q;2*+1/p-2/t11-,13-;;/m0../s1 SMILES N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].[Na+].[Na+] MNX internals InChI (mnx) InChI=1/C16H19N3O5.2Na/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;;/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24);;/q;2*+1/t11-,13-;;/m0../s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:12]2[C:10](=[CH:3]1)[C:9]([CH2:7][C@@H:13]([C:16](=[O:23])[OH:24])[N:19]=[C:15]([C@H:11]([CH2:5][CH2:6][C:14](=[O:20])[OH:21])[NH2:17])[OH:22])=[CH:8][NH:18]2.[Na+:25].[Na+:26]

Parent-child relations graph

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