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

Identification

Generic Name
Isopentane
DrugBank Accession Number
DB16203
Background

Isopentane is under investigation in clinical trial NCT00752089 (Experimental Dentifrice Remineralization/fluoride Uptake in an in Situ Model).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 72.151
Monoisotopic: 72.093900386
Chemical Formula
C5H12
Synonyms
  • Methylbutane
External IDs
  • NSC-119476

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

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ZH67814I0O
CAS number
78-78-4
InChI Key
QWTDNUCVQCZILF-UHFFFAOYSA-N
InChI
InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
IUPAC Name
2-methylbutane
SMILES
CCC(C)C

References

General References
Not Available
ChemSpider
6308
RxNav
1368703
ChEBI
30362
ChEMBL
CHEMBL1797287
ZINC
ZINC000001709041
Wikipedia
Isopentane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDental Erosion1

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 Solubility0.173 mg/mLALOGPS
logP3.12ALOGPS
logP2.53ChemAxon
logS-2.6ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity24.75 m3·mol-1ChemAxon
Polarizability10.09 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:15 / Updated at December 20, 2020 03:39