NAV

Azanidazole

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

Identification

Generic Name
Azanidazole
DrugBank Accession Number
DB13350
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 246.23
Monoisotopic: 246.086523586
Chemical Formula
C10H10N6O2
Synonyms
  • Azanidazole
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
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Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Categories

ATC Codes
G01AF13 — AzanidazoleP01AB04 — Azanidazole
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Nitroaromatic compounds / 1,2,5-trisubstituted imidazoles / Aminopyrimidines and derivatives / N-substituted imidazoles / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds
show 3 more
Substituents
1,2,5-trisubstituted-imidazole / Allyl-type 1,3-dipolar organic compound / Amine / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / C-nitro compound / Heteroaromatic compound / Hydrocarbon derivative / N-substituted imidazole
show 15 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YP2Y0DRX4S
CAS number
62973-76-6
InChI Key
LHIALLMPKJMSIQ-NSCUHMNNSA-N
InChI
InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+
IUPAC Name
4-[(E)-2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]pyrimidin-2-amine
SMILES
CN1C(\C=C\C2=CC=NC(N)=N2)=NC=C1[N+]([O-])=O

References

General References
Not Available
ChemSpider
4940835
ChEBI
135001
ChEMBL
CHEMBL134920
Wikipedia
Azanidazole

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleVaginal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.806 mg/mLALOGPS
logP1.03ALOGPS
logP0.83Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)16.59Chemaxon
pKa (Strongest Basic)4.06Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area112.76 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity65.2 m3·mol-1Chemaxon
Polarizability24 Å3Chemaxon
Number of Rings2Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0lxt-3950000000-8f28dcffcd14ed8b6af7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-169.6957413
predicted
DarkChem Lite v0.1.0
[M-H]-147.93538
predicted
DeepCCS 1.0 (2019)
[M+H]+169.4807413
predicted
DarkChem Lite v0.1.0
[M+H]+150.30928
predicted
DeepCCS 1.0 (2019)
[M+Na]+170.5884413
predicted
DarkChem Lite v0.1.0
[M+Na]+158.32445
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54