Nimorazole

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

Identification

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Name
Nimorazole
Accession Number
DB12172
Type
Small Molecule
Groups
Investigational
Description

Nimorazole has been used in trials studying the treatment of Hypoxia, Radiotherapy, Hypoxic Modification, Gene Profile, Gene Signature, and Head and Neck Squamous Cell Carcinoma, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
K-1900
Categories
UNII
469ULX0H4G
CAS number
6506-37-2
Weight
Average: 226.236
Monoisotopic: 226.106590327
Chemical Formula
C9H14N4O3
InChI Key
MDJFHRLTPRPZLY-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
IUPAC Name
4-[2-(5-nitro-1H-imidazol-1-yl)ethyl]morpholine
SMILES
O=N(=O)C1=CN=CN1CCN1CCOCC1

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
23009
PubChem Substance
347828460
ChemSpider
21533
ChEBI
134929
ChEMBL
CHEMBL435966
Wikipedia
Nimorazole
ATC Codes
P01AB06 — Nimorazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentHead and Neck Squamous Cell Carcinoma (HNSCC)1
3Active Not RecruitingTreatmentLocally Advanced Head and Neck HPV Negative Squamous Cell Cancers1
3RecruitingNot AvailableArterial hypoxia / Gene Profile, Gene Signature / Head and Neck Squamous Cell Carcinoma (HNSCC) / Hypoxic Modification / Radiotherapy1

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 Solubility9.58 mg/mLALOGPS
logP-0.43ALOGPS
logP-0.092ChemAxon
logS-1.4ALOGPS
pKa (Strongest Basic)5.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area76.11 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity57.58 m3·mol-1ChemAxon
Polarizability22 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 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

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
Nitroaromatic compounds / N-substituted imidazoles / Morpholines / Heteroaromatic compounds / Trialkylamines / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Organic oxoazanium compounds / Dialkyl ethers / Azacyclic compounds
show 3 more
Substituents
Nitroaromatic compound / Nitroimidazole / Morpholine / N-substituted imidazole / Oxazinane / Heteroaromatic compound / C-nitro compound / Tertiary amine / Tertiary aliphatic amine / Organic nitro compound
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:32 / Updated on June 04, 2019 07:33