Metronidazole hydrochlorideProduct ingredient for Metronidazole

Name
Metronidazole hydrochloride
Drug Entry
Metronidazole

Metronidazole is a commonly used antibiotic, belonging to the nitroimidazole class of antibiotics.14 It is frequently used to treat gastrointestinal infections as well as trichomoniasis and giardiasis, and amebiasis which are parasitic infections.4,5 Metronidazole has been used as an antibiotic for several decades15, with added antiparasitic properties that set it apart from many other antibacterial drugs, allowing it to treat a wide variety of infections. It is available in capsule form, tablet form, and topical form, and suppository preparations for the treatment of various infections.

Accession Number
DBSALT000362
Structure
Synonyms
Metronidazole HCl
UNII
76JC1633UF
CAS Number
69198-10-3
Weight
Average: 207.615
Monoisotopic: 207.041068908
Chemical Formula
C6H10ClN3O3
InChI Key
FPTPAIQTXYFGJC-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O3.ClH/c1-5-7-4-6(9(11)12)8(5)2-3-10;/h4,10H,2-3H2,1H3;1H
IUPAC Name
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol hydrochloride
SMILES
Cl.CC1=NC=C(N1CCO)N(=O)=O
PubChem Compound
68592
ChemSpider
61860
ChEBI
50687
ChEMBL
CHEMBL1200869
Wikipedia
Metronidazole
Predicted Properties
PropertyValueSource
Water Solubility5.92 mg/mLALOGPS
logP-0.15ALOGPS
logP-0.46Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)15.42Chemaxon
pKa (Strongest Basic)2.81Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.87 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity41.22 m3·mol-1Chemaxon
Polarizability15.81 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon