NAV

Clorindione

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

Identification

Generic Name
Clorindione
DrugBank Accession Number
DB13275
Background

Clorindione is a vitamin K antagonist, which may be useful to decrease prothrombin levels in humans.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 256.69
Monoisotopic: 256.0291072
Chemical Formula
C15H9ClO2
Synonyms
  • Clorindione
External IDs
  • G-25766
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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.
DrugInteraction
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interactions in your software
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Clorindione.
AceclofenacThe risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Clorindione.
AcemetacinThe risk or severity of bleeding and hemorrhage can be increased when Clorindione is combined with Acemetacin.
AcenocoumarolThe risk or severity of bleeding can be increased when Acenocoumarol is combined with Clorindione.
AcetaminophenAcetaminophen may increase the anticoagulant activities of Clorindione.
Food Interactions
  • Avoid herbs and supplements with anticoagulant/antiplatelet activity. These may increase anticoagulant/antiplatelet activity of clorindione. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.

Categories

ATC Codes
B01AA09 — Clorindione
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Indanes
Sub Class
Indanones
Direct Parent
Indanediones
Alternative Parents
Aryl alkyl ketones / Chlorobenzenes / Beta-diketones / Aryl chlorides / Organochlorides / Organic oxides / Hydrocarbon derivatives
Substituents
1,3-dicarbonyl compound / 1,3-diketone / Aromatic homopolycyclic compound / Aryl alkyl ketone / Aryl chloride / Aryl halide / Aryl ketone / Chlorobenzene / Halobenzene / Hydrocarbon derivative
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
541C7WS64R
CAS number
1146-99-2
InChI Key
NJDUWAXIURWWLN-UHFFFAOYSA-N
InChI
InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
IUPAC Name
2-(4-chlorophenyl)-2,3-dihydro-1H-indene-1,3-dione
SMILES
ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O

References

General References
Not Available
ChemSpider
64010
BindingDB
50280162
ChEBI
135057
ChEMBL
CHEMBL278519
ZINC
ZINC000100003913
Wikipedia
Clorindione

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 Solubility0.00531 mg/mLALOGPS
logP3.66ALOGPS
logP3.48Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.4Chemaxon
pKa (Strongest Basic)-7.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area34.14 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity70.04 m3·mol-1Chemaxon
Polarizability25.63 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0a4i-0090000000-c401eb07d7cfb9cac960
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-d596c8959c2fd4f59a99
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-0790000000-2785bf6652f27ddd237d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090000000-3ee015fcb24b93f90659
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-1910000000-45444d3846967273f65e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-1029-5950000000-db43066cec7776bb7b8e
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]-155.06267
predicted
DeepCCS 1.0 (2019)
[M+H]+157.42068
predicted
DeepCCS 1.0 (2019)
[M+Na]+163.51381
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54