Perfluoro tert-butylcyclohexane
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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
- Weight
- Average: 500.078
Monoisotopic: 499.96806326 - Chemical Formula
- C10F20
- Synonyms
- Oxycyte
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
- 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
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
- External Links
- PubChem Compound
- 15710945
- PubChem Substance
- 347828715
- ChemSpider
- 28604891
- ZINC
- ZINC000059270596
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Traumatic Brain Injury (TBI) 1 2 Terminated Treatment Traumatic 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
Property Value Source Water Solubility 0.0475 mg/mL ALOGPS logP 4.68 ALOGPS logP 6.4 Chemaxon logS -4 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 48.44 m3·mol-1 Chemaxon Polarizability 20.57 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 186.10112 predictedDeepCCS 1.0 (2019) [M+H]+ 188.49669 predictedDeepCCS 1.0 (2019) [M+Na]+ 194.4092 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:31 / Updated at June 12, 2020 16:53