Molecular Identity
Metronidazole Benzoate
2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
PubChem CID: 83213
Metronidazole benzoate is a benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. It has a role as an antimicrobial agent, an antiparasitic agent, an antibacterial drug, a prodrug and an antitrichomonal drug. It is functionally related to a benzoic acid and a metronidazole.
2D Structure
Properties
C13H13N3O4
Molecular Formula
275.26
Molecular Weight
g/mol
275.0906
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
89.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
352
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]Isomeric SMILES
SMILES: CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]Synonyms(20)
Metronidazole benzoate13182-89-3Benzoyl metronidazole2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoateKlion suspension2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoateMetronidazoli benzoasA355C835XCDTXCID0079712CHEBI:50688DTXSID60157221SolutitionKitsRefChem:55629SolutitionKits MetronidazoleFlegyl
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Metronidazole Benzoate
Loading drug network...