NAV

Propenidazole

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

Identification

Generic Name
Propenidazole
DrugBank Accession Number
DB13319
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 267.241
Monoisotopic: 267.085520531
Chemical Formula
C11H13N3O5
Synonyms
  • Propenidazole
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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
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AtracuriumThe therapeutic efficacy of Atracurium can be increased when used in combination with Propenidazole.
Atracurium besylateThe therapeutic efficacy of Atracurium besylate can be increased when used in combination with Propenidazole.
Botulinum toxin type AThe therapeutic efficacy of Botulinum toxin type A can be increased when used in combination with Propenidazole.
CisatracuriumThe therapeutic efficacy of Cisatracurium can be increased when used in combination with Propenidazole.
DaxibotulinumtoxinAThe therapeutic efficacy of DaxibotulinumtoxinA can be increased when used in combination with Propenidazole.
Food Interactions
Not Available

Categories

ATC Codes
G01AF14 — PropenidazoleP01AB05 — Propenidazole
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
1,2,5-trisubstituted imidazoles / Imidazolyl carboxylic acids and derivatives / Nitroaromatic compounds / Beta-keto acids and derivatives / Fatty acid esters / Alpha-branched alpha,beta-unsaturated ketones / N-substituted imidazoles / Acryloyl compounds / Enoate esters / Enones
show 11 more
Substituents
1,2,5-trisubstituted-imidazole / Acryloyl-group / Allyl-type 1,3-dipolar organic compound / Alpha,beta-unsaturated carboxylic ester / Alpha,beta-unsaturated ketone / Alpha-branched alpha,beta-unsaturated-ketone / Aromatic heteromonocyclic compound / Azacycle / Beta-keto acid / C-nitro compound
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
F0O89MB7QE
CAS number
76448-31-2
InChI Key
GCHKUUOPYMFGEY-VMPITWQZSA-N
InChI
InChI=1S/C11H13N3O5/c1-4-19-11(16)8(7(2)15)5-9-12-6-10(13(9)3)14(17)18/h5-6H,4H2,1-3H3/b8-5+
IUPAC Name
ethyl (2E)-2-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]-3-oxobutanoate
SMILES
CCOC(=O)C(=C\C1=NC=C(N1C)[N+]([O-])=O)\C(C)=O

References

General References
Not Available
ChemSpider
4950302
ChEBI
135098
ChEMBL
CHEMBL1788390
ZINC
ZINC000000001990
Wikipedia
Propenidazole

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
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.344 mg/mLALOGPS
logP1.11ALOGPS
logP1.15Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)18.17Chemaxon
pKa (Strongest Basic)1.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area104.33 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity65.03 m3·mol-1Chemaxon
Polarizability25.72 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-004i-9670000000-d80af0dceb55cc077840
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]-175.4378608
predicted
DarkChem Lite v0.1.0
[M-H]-160.42471
predicted
DeepCCS 1.0 (2019)
[M+H]+174.8277608
predicted
DarkChem Lite v0.1.0
[M+H]+163.68477
predicted
DeepCCS 1.0 (2019)
[M+Na]+174.9113608
predicted
DarkChem Lite v0.1.0
[M+Na]+172.08304
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54