NAV

Tenonitrozole

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

Identification

Generic Name
Tenonitrozole
DrugBank Accession Number
DB13659
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 255.27
Monoisotopic: 254.977233381
Chemical Formula
C8H5N3O3S2
Synonyms
  • Tenonitrozole
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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
Not Available

Interactions

Drug Interactions
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

Categories

ATC Codes
P01AX08 — Tenonitrozole
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Thiazoles
Direct Parent
Nitrothiazoles
Alternative Parents
Thiophene carboxamides / Nitroaromatic compounds / 2-heteroaryl carboxamides / 2,5-disubstituted thiazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Azacyclic compounds / Organopnictogen compounds
show 5 more
Substituents
2,5-disubstituted 1,3-thiazole / 2-heteroaryl carboxamide / Allyl-type 1,3-dipolar organic compound / Aromatic heteromonocyclic compound / Azacycle / C-nitro compound / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
PBQ7WLE1WP
CAS number
3810-35-3
InChI Key
ZLOXYEZYWCTXHU-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
IUPAC Name
N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILES
O=C(NC1=NC=C(S1)N(=O)=O)C1=CC=CS1

References

General References
Not Available
ChemSpider
18505
RxNav
236186
ChEBI
135042
ChEMBL
CHEMBL1082354
ZINC
ZINC000004217523
Wikipedia
Tenonitrozole

Clinical Trials

Clinical Trials
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 Solubility0.21 mg/mLALOGPS
logP2.13ALOGPS
logP2.43Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)10.08Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area87.81 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity59.65 m3·mol-1Chemaxon
Polarizability22.93 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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-159.1219295
predicted
DarkChem Lite v0.1.0
[M-H]-150.87428
predicted
DeepCCS 1.0 (2019)
[M+H]+159.4014295
predicted
DarkChem Lite v0.1.0
[M+H]+153.26984
predicted
DeepCCS 1.0 (2019)
[M+Na]+159.2434295
predicted
DarkChem Lite v0.1.0
[M+Na]+159.34883
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54