Pipemidic acid trihydrate

Properties Image MNX_ID MNXM160251 reference chebi:32005 formula C14H23N5O6 global charge 0 mol weight 357.367 InChIKey URMXYPLWYMOYPG-UHFFFAOYSA-N InChI InChI=1S/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2 SMILES CCN1C=C(C(=O)O)C(=O)C2=CN=C(N3CCNCC3)N=C21.O.O.O MNX internals InChI (mnx) InChI=1/C14H17N5O3.3H2O/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;;;/h7-8,15H,2-6H2,1H3,(H,21,22);3*1H2 SMILES (mnx) [CH3:1][CH2:2][N:18]1[CH:8]=[C:10]([C:13](=[O:21])[OH:22])[C:11](=[O:20])[C:9]2=[CH:7][N:16]=[C:14]([N:19]3[CH2:5][CH2:3][NH:15][CH2:4][CH2:6]3)[N:17]=[C:12]21.[OH2:23].[OH2:24].[OH2:25]

Parent-child relations graph

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