Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

2MN

Summary
Name:Metronidazole
Formula:C6 H9 N3 O3
Formal charge:0
Formula weight:171.154 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol
OpenEye OEToolkits1.5.02-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1cnc(n1CCO)C
SMILES_CANONICALCACTVS3.341Cc1ncc(n1CCO)[N+]([O-])=O
SMILESCACTVS3.341Cc1ncc(n1CCO)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ncc(n1CCO)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0Cc1ncc(n1CCO)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKeyInChI1.03VAOCPAMSLUNLGC-UHFFFAOYSA-N

217157

PDB entries from 2024-03-13

PDB statisticsPDBj update infoContact PDBjnumon