Cloridarol

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

Identification

Generic Name
Cloridarol
DrugBank Accession Number
DB13291
Background

Cloridarol is an experimental medication in the treatment of heart disease, which acts through vasodilation. It was studied for the treatment of coronary insufficiency in Italy in the 1970s 1.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 258.7
Monoisotopic: 258.0447573
Chemical Formula
C15H11ClO2
Synonyms
  • Cloridarol

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

Products

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Categories

ATC Codes
C01DX15 — Cloridarol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzofurans
Sub Class
Not Available
Direct Parent
Benzofurans
Alternative Parents
Chlorobenzenes / Aryl chlorides / Heteroaromatic compounds / Furans / Secondary alcohols / Oxacyclic compounds / Organochlorides / Hydrocarbon derivatives / Aromatic alcohols
Substituents
Alcohol / Aromatic alcohol / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Benzenoid / Benzofuran / Chlorobenzene / Furan / Halobenzene
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2L2063955H
CAS number
3611-72-1
InChI Key
KBFBRIPYVVGWRS-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClO2/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15,17H
IUPAC Name
(1-benzofuran-2-yl)(4-chlorophenyl)methanol
SMILES
OC(C1=CC2=CC=CC=C2O1)C1=CC=C(Cl)C=C1

References

General References
  1. Mossuti E, Nigro P, Diene G, Petralito A: [Use of cloridarol in coronary insufficiency]. Minerva Med. 1976 Apr 30;67(21):1394-7. [Article]
ChemSpider
64279
ChEBI
135066
ChEMBL
CHEMBL2104094
Wikipedia
Cloridarol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0188 mg/mLALOGPS
logP3.99ALOGPS
logP3.67Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.63Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area33.37 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity70.68 m3·mol-1Chemaxon
Polarizability26.68 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-4940000000-7ed617b43cfcd2e0569d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-4abdd2fccbf9c86daff9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0290000000-0c3722fb860d4ba6846c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0910000000-bcd20ec48cf0db8f7e4a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0159-7900000000-c2ad527afa4409f671fd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-9730000000-2ad84c1393c01d765c48
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-1930000000-7378742d21cd5afa9b65
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]-155.20882
predicted
DeepCCS 1.0 (2019)
[M+H]+157.60437
predicted
DeepCCS 1.0 (2019)
[M+Na]+163.51689
predicted
DeepCCS 1.0 (2019)

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