NAV

Perfluoro tert-butylcyclohexane

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

Identification

Generic Name
Perfluoro tert-butylcyclohexane
DrugBank Accession Number
DB12477
Background

Oxycyte has been used in trials studying the treatment of Traumatic Brain Injury.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 500.078
Monoisotopic: 499.96806326
Chemical Formula
C10F20
Synonyms
  • Oxycyte
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
Kingdom
Organic compounds
Super Class
Organohalogen compounds
Class
Alkyl halides
Sub Class
Cyclohexyl halides
Direct Parent
Cyclohexyl halides
Alternative Parents
Organofluorides / Hydrocarbon derivatives / Alkyl fluorides
Substituents
Aliphatic homomonocyclic compound / Alkyl fluoride / Cyclohexyl halide / Hydrocarbon derivative / Organofluoride
Molecular Framework
Aliphatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3ZX1Z33VUU
CAS number
84808-64-0
InChI Key
VLTXBOGHSBHSAC-UHFFFAOYSA-N
InChI
InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15
IUPAC Name
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane
SMILES
FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

References

General References
Not Available
PubChem Compound
15710945
PubChem Substance
347828715
ChemSpider
28604891
ZINC
ZINC000059270596

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentTraumatic Brain Injury (TBI)1
2TerminatedTreatmentTraumatic Brain Injury (TBI)1

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 Solubility0.0475 mg/mLALOGPS
logP4.68ALOGPS
logP6.4Chemaxon
logS-4ALOGPS
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity48.44 m3·mol-1Chemaxon
Polarizability20.57 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00l2-5424900000-c2906cbc01591e66dcd9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0000090000-34bc1f0d60db3ef7e295
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0000090000-d69d22285da605dc93d8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0000290000-4ef845f7bb46895cfe71
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-186.10112
predicted
DeepCCS 1.0 (2019)
[M+H]+188.49669
predicted
DeepCCS 1.0 (2019)
[M+Na]+194.4092
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:31 / Updated at June 12, 2020 16:53