NAV

Clorexolone

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

Identification

Generic Name
Clorexolone
DrugBank Accession Number
DB13617
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 328.81
Monoisotopic: 328.0648413
Chemical Formula
C14H17ClN2O3S
Synonyms
  • Clorexolone
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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AbacavirClorexolone may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy.
AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Clorexolone.
AceclofenacClorexolone may increase the excretion rate of Aceclofenac which could result in a lower serum level and potentially a reduction in efficacy.
AcemetacinThe therapeutic efficacy of Clorexolone can be decreased when used in combination with Acemetacin.
AcetaminophenClorexolone may increase the excretion rate of Acetaminophen which could result in a lower serum level and potentially a reduction in efficacy.
Food Interactions
Not Available

Categories

ATC Codes
C03BA12 — ClorexoloneC03BA82 — Clorexolone, combinations with psycholeptics
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Sub Class
Isoindolines
Direct Parent
Isoindolones
Alternative Parents
Isoindoles / Organosulfonamides / Benzenoids / Aryl chlorides / Tertiary carboxylic acid amides / Aminosulfonyl compounds / Lactams / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds
show 4 more
Substituents
Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / Isoindole
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Q2PLT3FS05
CAS number
2127-01-7
InChI Key
VPMWFZKOWULPGT-UHFFFAOYSA-N
InChI
InChI=1S/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)
IUPAC Name
6-chloro-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-5-sulfonamide
SMILES
NS(=O)(=O)C1=C(Cl)C=C2CN(C3CCCCC3)C(=O)C2=C1

References

General References
Not Available
ChemSpider
15615
ChEBI
31421
ChEMBL
CHEMBL2106167
ZINC
ZINC000000001199
Wikipedia
Clorexolone

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.0803 mg/mLALOGPS
logP2.61ALOGPS
logP2.03Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)8.85Chemaxon
pKa (Strongest Basic)-1.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area80.47 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity81.46 m3·mol-1Chemaxon
Polarizability33.36 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-004i-0009000000-4cabdea259fe6120b36b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-4147f1efd3b5a4ed7a0f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-1019000000-2548714017c707bf1606
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-c5287c14ebc58399d803
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00bi-9480000000-46cbec8f312a0f95530b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0j7i-3974000000-3e3a42f9de1e4b69e536
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]-169.40437
predicted
DeepCCS 1.0 (2019)
[M+H]+171.76236
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.3066
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54