Pentetrazol
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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- Experimental, Withdrawn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
- Weight
- Average: 138.174
Monoisotopic: 138.090546338 - Chemical Formula
- C6H10N4
- Synonyms
- Pentetrazol
- Pentylenetetrazol
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
Categories
- ATC Codes
- R07AB53 — Pentetrazol, combinations
- R07AB — Respiratory stimulants
- R07A — OTHER RESPIRATORY SYSTEM PRODUCTS
- R07 — OTHER RESPIRATORY SYSTEM PRODUCTS
- R — RESPIRATORY SYSTEM
- 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
- 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]
- AIFA: Cardiazol-Paracodina (Dihydrocodeine, Pentetrazole) Oral Solution [Link]
- External Links
- Human Metabolome Database
- HMDB0256296
- KEGG Compound
- C13692
- ChemSpider
- 5704
- BindingDB
- 50240031
- 8015
- ChEBI
- 34910
- ChEMBL
- CHEMBL116943
- ZINC
- ZINC000000001905
- Wikipedia
- Pentylenetetrazol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Idiopathic Hypersomnia 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Solution / drops Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 4.51 mg/mL ALOGPS logP 0.56 ALOGPS logP 0.59 Chemaxon logS -1.5 ALOGPS pKa (Strongest Basic) -0.45 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 43.6 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 50.07 m3·mol-1 Chemaxon Polarizability 14.15 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0900000000-541512516e4356d1c784 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-1900000000-86f6f4efaecfa8f9cea2 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-9200000000-c806b9a98ec6ab312133 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000l-6900000000-757d364d81906c55ebfb Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052e-9600000000-fea473f8d0887533bda5 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-7900000000-ba6bb32b615e3c4b5fb3 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 124.8993097 predictedDarkChem Lite v0.1.0 [M-H]- 123.782135 predictedDeepCCS 1.0 (2019) [M+H]+ 125.4484097 predictedDarkChem Lite v0.1.0 [M+H]+ 125.942245 predictedDeepCCS 1.0 (2019) [M+Na]+ 134.52242 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:41 / Updated at December 01, 2022 11:28