o-Cymen-5-ol

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

Identification

Generic Name
o-Cymen-5-ol
DrugBank Accession Number
DB15901
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 150.221
Monoisotopic: 150.104465071
Chemical Formula
C10H14O
Synonyms
  • 4-Isopropyl-3-methylphenol
  • 4-Isopropyl-m-cresol
  • o-Cymen-5-ol
  • o-Cymen-5y-ol
  • p-Thymol

Pharmacology

Indication

Not Available

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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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International/Other Brands
Biosol / Frecide
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
NORO-X Foaming HandSoapSoap0.095 g/100mLTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Foaming HandSoapSoap0.095 g/100mLTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Foaming HandSoapSoap0.095 g/100mLTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Foaming HandSoapSoap0.095 g/100mLTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Forming HandSoapSoap0.095 g/100mLTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Be Cleano-Cymen-5-ol (0.085 mg/100mg) + Thymol (1.35 mg/100mg)LiquidTopicalCLEANFORCE LLC2020-10-12Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
NORO-X Foaming HandSoapo-Cymen-5-ol (0.095 g/100mL)SoapTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Foaming HandSoapo-Cymen-5-ol (0.095 g/100mL)SoapTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Foaming HandSoapo-Cymen-5-ol (0.095 g/100mL)SoapTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Foaming HandSoapo-Cymen-5-ol (0.095 g/100mL)SoapTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag
NORO-X Forming HandSoapo-Cymen-5-ol (0.095 g/100mL)SoapTopicalBIO3S Co.,Ltd.2022-12-27Not applicableUS flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
H41B6Q1I9L
CAS number
3228-02-2
InChI Key
IJALWSVNUBBQRA-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
IUPAC Name
3-methyl-4-(propan-2-yl)phenol
SMILES
CC(C)C1=CC=C(O)C=C1C

References

General References
Not Available
KEGG Compound
C14741
ChemSpider
17564
RxNav
1364387
ChEBI
34429
ZINC
ZINC000001691011

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidTopical
SoapTopical0.095 g/100mL
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP3.43Chemaxon
pKa (Strongest Acidic)10.39Chemaxon
pKa (Strongest Basic)-5.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area20.23 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity47.27 m3·mol-1Chemaxon
Polarizability17.75 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0f6x-6900000000-88b2950331a98727d7d0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-3d7332fa5fa0d8def919
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9300000000-270469b4c95d377c01b9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-748be2880b93f9914d1d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-5b35eee8c986a931fbd3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-7900000000-aaf576cd3af0a20bf307
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]-137.3478015
predicted
DarkChem Lite v0.1.0
[M-H]-136.18163
predicted
DeepCCS 1.0 (2019)
[M+H]+138.1258015
predicted
DarkChem Lite v0.1.0
[M+H]+139.69992
predicted
DeepCCS 1.0 (2019)
[M+Na]+137.5003015
predicted
DarkChem Lite v0.1.0
[M+Na]+149.18968
predicted
DeepCCS 1.0 (2019)

Drug created at October 26, 2020 15:10 / Updated at October 27, 2020 21:12