Cyclofenil

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

Identification

Generic Name
Cyclofenil
DrugBank Accession Number
DB13472
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 364.441
Monoisotopic: 364.167459253
Chemical Formula
C23H24O4
Synonyms
  • Cyclofenil
External IDs
  • F 6066
  • ICI 48213

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.
DrugInteraction
Fluoroestradiol F-18Cyclofenil may decrease effectiveness of Fluoroestradiol F-18 as a diagnostic agent.
OspemifeneThe risk or severity of adverse effects can be increased when Cyclofenil is combined with Ospemifene.
Food Interactions
Not Available

Products

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Categories

ATC Codes
G03GB01 — Cyclofenil
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Phenol esters / Phenoxy compounds / Dicarboxylic acids and derivatives / Carboxylic acid esters / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aromatic homomonocyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives / Diphenylmethane / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
J468V64WZ1
CAS number
2624-43-3
InChI Key
GVOUFPWUYJWQSK-UHFFFAOYSA-N
InChI
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
IUPAC Name
4-{[4-(acetyloxy)phenyl](cyclohexylidene)methyl}phenyl acetate
SMILES
CC(=O)OC1=CC=C(C=C1)C(=C1CCCCC1)C1=CC=C(OC(C)=O)C=C1

References

General References
Not Available
ChemSpider
2795
RxNav
2983
ChEBI
31446
ChEMBL
CHEMBL141305
ZINC
ZINC000000608288
Wikipedia
Cyclofenil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000792 mg/mLALOGPS
logP5.76ALOGPS
logP4.86Chemaxon
logS-5.7ALOGPS
pKa (Strongest Basic)-6.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area52.6 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity113.52 m3·mol-1Chemaxon
Polarizability41.08 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-014i-0009000000-c9d74758fe95c08c816c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-024i-0039000000-125a95e4bdc45f9be4d1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0c00-5019000000-c29a35126392c032d01a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-016s-1129000000-250bfc7cf8b16298649d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-8069000000-22199b42a2e6e5a37a25
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02wc-0093000000-599f84c8a9b146c3aa19
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]-215.2578838
predicted
DarkChem Lite v0.1.0
[M-H]-185.94135
predicted
DeepCCS 1.0 (2019)
[M+H]+216.2251838
predicted
DarkChem Lite v0.1.0
[M+H]+188.29935
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.4332838
predicted
DarkChem Lite v0.1.0
[M+Na]+195.12059
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:42 / Updated at February 21, 2021 18:54