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

Identification

Name
Cloranolol
Accession Number
DB13508
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Cloranololum
  • Tobanum
Product Ingredients
IngredientUNIICASInChI Key
Cloranolol hydrochloride79SQ2WFQ2354247-25-5GSMITOPOWVFGOM-UHFFFAOYSA-N
Categories
UNII
Q3U058H86V
CAS number
39563-28-5
Weight
Average: 292.2
Monoisotopic: 291.0792843
Chemical Formula
C13H19Cl2NO2
InChI Key
XYCMOTOFHFTUIU-UHFFFAOYSA-N
InChI
InChI=1S/C13H19Cl2NO2/c1-13(2,3)16-7-10(17)8-18-12-6-9(14)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3
IUPAC Name
1-(tert-butylamino)-3-(2,5-dichlorophenoxy)propan-2-ol
SMILES
CC(C)(C)NCC(O)COC1=CC(Cl)=CC=C1Cl

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(4R)-limonene(4R)-limonene may decrease the antihypertensive activities of Cloranolol.
1,10-Phenanthroline1,10-Phenanthroline may increase the bradycardic activities of Cloranolol.
4-Methoxyamphetamine4-Methoxyamphetamine may increase the atrioventricular blocking (AV block) activities of Cloranolol.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Cloranolol.
AbediterolCloranolol may decrease the bronchodilatory activities of Abediterol.
AcebutololAcebutolol may increase the hypotensive activities of Cloranolol.
AceclofenacAceclofenac may decrease the antihypertensive activities of Cloranolol.
AcemetacinThe therapeutic efficacy of Cloranolol can be decreased when used in combination with Acemetacin.
AcepromazineCloranolol may increase the orthostatic hypotensive activities of Acepromazine.
AceprometazineAceprometazine may increase the hypotensive activities of Cloranolol.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
59229
ChEBI
135217
ChEMBL
CHEMBL156791
Wikipedia
Cloranolol
ATC Codes
C07AA27 — Cloranolol

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0879 mg/mLALOGPS
logP3.47ALOGPS
logP3.08ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)14.09ChemAxon
pKa (Strongest Basic)9.76ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area41.49 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity74.62 m3·mol-1ChemAxon
Polarizability30.46 Å3ChemAxon
Number of Rings1ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Aryl chlorides / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
Phenoxy compound / 1,4-dichlorobenzene / Phenol ether / Alkyl aryl ether / Aryl chloride / Aryl halide / 1,2-aminoalcohol / Secondary alcohol / Secondary aliphatic amine / Secondary amine
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Steroid hydroxylase activity
Specific Function
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic...
Gene Name
CYP2D6
Uniprot ID
P10635
Uniprot Name
Cytochrome P450 2D6
Molecular Weight
55768.94 Da
References
  1. Iwaki M, Niwa T, Bandoh S, Itoh M, Hirose H, Kawase A, Komura H: Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432. doi: 10.1016/j.dmpk.2016.08.007. Epub 2016 Sep 2. [PubMed:27836712]
  2. Brodde OE, Kroemer HK: Drug-drug interactions of beta-adrenoceptor blockers. Arzneimittelforschung. 2003;53(12):814-22. [PubMed:14732961]
  3. Sternieri E, Coccia CP, Pinetti D, Guerzoni S, Ferrari A: Pharmacokinetics and interactions of headache medications, part II: prophylactic treatments. Expert Opin Drug Metab Toxicol. 2006 Dec;2(6):981-1007. doi: 10.1517/17425255.2.6.981 . [PubMed:17125412]

Drug created on June 23, 2017 14:43 / Updated on October 01, 2018 16:56