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

Identification
NameEtanidazole
Accession NumberDB12736
TypeSmall Molecule
GroupsInvestigational
Description

Etanidazole has been used in trials studying the diagnostic of Adult Ependymoma, Malignant Ascites, Adult Gliosarcoma, Adult Mixed Glioma, and Adult Glioblastoma, among others.

Structure
Thumb
SynonymsNot Available
External IDs NSC-301467 / SR 2508 / SR-2508
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII30DKA3Q1HL
CAS number22668-01-5
WeightAverage: 214.181
Monoisotopic: 214.070204818
Chemical FormulaC7H10N4O4
InChI KeyWCDWBPCFGJXFJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)
IUPAC Name
N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)ethanimidic acid
SMILES
OCCN=C(O)CN1C=CN=C1N(=O)=O
Pharmacology
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Etanidazole.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Etanidazole.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Etanidazole.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Etanidazole.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Etanidazole.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Etanidazole.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Etanidazole.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Etanidazole.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Etanidazole.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Etanidazole.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Etanidazole.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Etanidazole.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableTerminatedDiagnosticAdult Anaplastic Astrocytoma / Adult Anaplastic Ependymoma / Adult Anaplastic Oligodendroglioma / Adult Diffuse Astrocytoma / Adult Ependymoma / Adult Giant Cell Glioblastoma / Adult Glioblastoma / Adult Gliosarcoma / Adult Mixed Glioma / Adult Myxopapillary Ependymoma / Adult Oligodendroglioma / Adult Pilocytic Astrocytoma / Adult Pineal Gland Astrocytoma / Adult Subependymoma1
Not AvailableTerminatedDiagnosticAdvanced Malignant Mesothelioma / Localized Malignant Mesothelioma / Malignant Ascites / Primary Peritoneal Cavity Cancer / Recurrent Malignant Mesothelioma1
Properties
StateNot Available
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility4.63 mg/mLALOGPS
logP-0.83ALOGPS
logP-0.77ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)2.09ChemAxon
pKa (Strongest Basic)4.11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area116.46 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.32 m3·mol-1ChemAxon
Polarizability19.2 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as n-acylethanolamines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentN-acylethanolamines
Alternative ParentsNitroaromatic compounds / N-substituted imidazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Primary alcohols / Organic zwitterions / Organic salts
SubstituentsNitroaromatic compound / N-acylethanolamine / N-substituted imidazole / Azole / Imidazole / Heteroaromatic compound / Carboxamide group / C-nitro compound / Secondary carboxylic acid amide / Organic nitro compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsC-nitro compound, monocarboxylic acid amide, imidazoles (CHEBI:75473 )
Drug created on October 20, 2016 17:56 / Updated on September 01, 2017 12:24