Ornidazole

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Ornidazole
Accession Number
DB13026
Type
Small Molecule
Groups
Investigational
Description

Ornidazole has been used in trials studying the prevention of Elective Colorectal Surgery.

Structure
Thumb
Synonyms
  • ornidazol
Categories
UNII
62XCK0G93T
CAS number
16773-42-5
Weight
Average: 219.63
Monoisotopic: 219.0410689
Chemical Formula
C7H10ClN3O3
InChI Key
IPWKIXLWTCNBKN-UHFFFAOYSA-N
InChI
InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
IUPAC Name
1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol
SMILES
CC1=NC=C(N1CC(O)CCl)N(=O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
28061
PubChem Substance
347829160
ChemSpider
26102
ChEBI
75176
ChEMBL
CHEMBL1449676
Wikipedia
Ornidazole
ATC Codes
J01RA05 — Levofloxacin and ornidazoleG01AF06 — OrnidazoleP01AB03 — OrnidazoleJ01RA12 — Ciprofloxacin and ornidazoleJ01XD03 — OrnidazoleJ01RA09 — Ofloxacin and ornidazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingPreventionMalignant Neoplasm of Colon1
3Not Yet RecruitingPreventionRectal Cancer Surgery1
3RecruitingPreventionElective Colorectal Surgery1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.34 mg/mLALOGPS
logP0.37ALOGPS
logP0.26ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)13.89ChemAxon
pKa (Strongest Basic)3.08ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area83.87 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity50.23 m3·mol-1ChemAxon
Polarizability19.59 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00fr-0590000000-51e17e00bdee7b7e70f6
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00fr-1590000000-10d4a11d06fa5ff22012
MS/MS Spectrum - , positiveLC-MS/MSsplash10-004i-3911000000-5b4872e026a447ba42bd

Taxonomy

Description
This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Imidazoles
Direct Parent
Nitroimidazoles
Alternative Parents
1,2,5-trisubstituted imidazoles / Nitroaromatic compounds / N-substituted imidazoles / Heteroaromatic compounds / Secondary alcohols / Chlorohydrins / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds / Organic oxoazanium compounds / Organic oxides
show 6 more
Substituents
1,2,5-trisubstituted-imidazole / Nitroaromatic compound / Nitroimidazole / Trisubstituted imidazole / N-substituted imidazole / Heteroaromatic compound / Chlorohydrin / Halohydrin / C-nitro compound / Secondary alcohol
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
C-nitro compound, secondary alcohol, imidazoles, organochlorine compound (CHEBI:75176)

Drug created on October 20, 2016 20:10 / Updated on November 02, 2018 07:33