NAV

Pentetrazol

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

Identification

Summary

Pentetrazol is a cough suppressant.

Generic Name
Pentetrazol
DrugBank Accession Number
DB13415
Background

Pentetrazol, also known as pentylenetetrazole, is a gamma-aminobutyric acid type A (GABAA) receptor antagonist that was approved by the FDA until 1982.1

Type
Small Molecule
Groups
Experimental, Withdrawn
Structure
3D
Similar Structures
Weight
Average: 138.174
Monoisotopic: 138.090546338
Chemical Formula
C6H10N4
Synonyms
  • Pentetrazol
  • Pentylenetetrazol
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Pharmacology

Indication

Not Available

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Associated Therapies
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

Products

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Categories

ATC Codes
R07AB53 — Pentetrazol, combinationsR07AB03 — Pentetrazol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azepines
Sub Class
Not Available
Direct Parent
Azepines
Alternative Parents
Tetrazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Aromatic heteropolycyclic compound / Azacycle / Azepine / Azole / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Tetrazole
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organic heterobicyclic compound, organonitrogen heterocyclic compound (CHEBI:34910)
Affected organisms
Not Available

Chemical Identifiers

UNII
WM5Z385K7T
CAS number
54-95-5
InChI Key
CWRVKFFCRWGWCS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
IUPAC Name
5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepine
SMILES
C1CCN2N=NN=C2CC1

References

General References
  1. Colas D, Chuluun B, Warrier D, Blank M, Wetmore DZ, Buckmaster P, Garner CC, Heller HC: Short-term treatment with the GABAA receptor antagonist pentylenetetrazole produces a sustained pro-cognitive benefit in a mouse model of Down's syndrome. Br J Pharmacol. 2013 Jul;169(5):963-73. doi: 10.1111/bph.12169. [Article]
  2. AIFA: Cardiazol-Paracodina (Dihydrocodeine, Pentetrazole) Oral Solution [Link]
Human Metabolome Database
HMDB0256296
KEGG Compound
C13692
ChemSpider
5704
BindingDB
50240031
RxNav
8015
ChEBI
34910
ChEMBL
CHEMBL116943
ZINC
ZINC000000001905
Wikipedia
Pentylenetetrazol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Unknown StatusTreatmentIdiopathic Hypersomnia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Solution / dropsOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.51 mg/mLALOGPS
logP0.56ALOGPS
logP0.59Chemaxon
logS-1.5ALOGPS
pKa (Strongest Basic)-0.45Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area43.6 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity50.07 m3·mol-1Chemaxon
Polarizability14.15 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0900000000-541512516e4356d1c784
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-1900000000-86f6f4efaecfa8f9cea2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0005-9200000000-c806b9a98ec6ab312133
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000l-6900000000-757d364d81906c55ebfb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052e-9600000000-fea473f8d0887533bda5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-7900000000-ba6bb32b615e3c4b5fb3
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]-124.8993097
predicted
DarkChem Lite v0.1.0
[M-H]-123.782135
predicted
DeepCCS 1.0 (2019)
[M+H]+125.4484097
predicted
DarkChem Lite v0.1.0
[M+H]+125.942245
predicted
DeepCCS 1.0 (2019)
[M+Na]+134.52242
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at December 01, 2022 11:28