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Fluocinolone

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

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Data Packages
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Identification

Generic Name
Fluocinolone
DrugBank Accession Number
DB12553
Background

Fluocinolone has been used in trials studying the treatment and prevention of Candida Infection, Oral Lichen Planus, Macular Degeneration, and Choroidal Neovascularization.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 412.43
Monoisotopic: 412.169744883
Chemical Formula
C21H26F2O6
Synonyms
  • Fluocinolona
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Hydroxysteroids
Direct Parent
21-hydroxysteroids
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives / 20-oxosteroids / 11-beta-hydroxysteroids / 16-alpha-hydroxysteroids / 17-hydroxysteroids / Halogenated steroids / 3-oxo delta-1,4-steroids / Delta-1,4-steroids / Tertiary alcohols / Alpha-hydroxy ketones
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Substituents
11-beta-hydroxysteroid / 11-hydroxysteroid / 16-alpha-hydroxysteroid / 16-hydroxysteroid / 17-hydroxysteroid / 20-oxosteroid / 21-hydroxysteroid / 3-oxo-delta-1,4-steroid / 3-oxosteroid / 6-halo-steroid
show 27 more
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
fluorinated steroid (CHEBI:5108) / Pregnane and derivatives [Fig] (C07006)
Affected organisms
Not Available

Chemical Identifiers

UNII
CT1IX58L9S
CAS number
807-38-5
InChI Key
UUOUOERPONYGOS-CLCRDYEYSA-N
InChI
InChI=1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1
IUPAC Name
(1R,2S,8S,10S,11S,13R,14S,15S,17S)-1,8-difluoro-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
SMILES
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO

References

General References
Not Available
KEGG Compound
C07006
PubChem Compound
91488
PubChem Substance
347828777
ChemSpider
82611
RxNav
25126
ChEBI
5108
ChEMBL
CHEMBL1201390
ZINC
ZINC000004097307
Wikipedia
Fluocinolone

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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1CompletedTreatmentMacular Degeneration / Subfoveal Choroidal Neovascularization (CNV)1somestatusstop reasonjust information to hide
Not AvailableCompletedPreventionCandidiasis / Oral Lichen Planus1somestatusstop reasonjust information to hide

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 Solubility0.342 mg/mLALOGPS
logP0.9ALOGPS
logP-0.098Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)11.75Chemaxon
pKa (Strongest Basic)-3.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area115.06 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity99.21 m3·mol-1Chemaxon
Polarizability40.14 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-01tc-0009200000-b1b38f4ea5439a145870
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0008900000-8c09ea62e994a777cffb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002r-0009100000-ba68c77dd5be185d5cdf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uei-0009100000-7a0fd19e49e313edf816
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0059-1191000000-6d4fe4ef1f2a42d133ae
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-1009000000-355910c0cd6c131c2cb1
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]-194.82417
predicted
DeepCCS 1.0 (2019)
[M+H]+196.71959
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.34692
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:49 / Updated at June 17, 2022 21:08