methicillin sodium monohydrate

Properties Image MNX_ID MNXM106638 reference chebi:34836 formula C17H21N2NaO7S global charge 0 mol weight 420.419 InChIKey NRZPASQBOYNGHR-HWROMZCQSA-M InChI InChI=1S/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/p-1/t11-,12+,15-;;/m1../s1 SMILES COC1=CC=CC(OC)=C1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-].O.[Na+] MNX internals InChI (mnx) InChI=1/C17H20N2O6S.Na.H2O/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);;1H2/q;+1;/t11-,12+,15-;;/m1../s1 SMILES (mnx) [CH3:1][C:17]1([CH3:2])[C@H:12]([C:16](=[O:22])[OH:23])[N:19]2[C:14](=[O:21])[C@@H:11]([N:18]=[C:13]([C:10]3=[C:8]([O:24][CH3:3])[CH:6]=[CH:5][CH:7]=[C:9]3[O:25][CH3:4])[OH:20])[C@H:15]2[S:26]1.[Na+:27].[OH2:28]

Parent-child relations graph

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