Phloroglucinol

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

Identification

Summary

Phloroglucinol is a spasmolytic agent to treat colic, as well as spastic pain of the digestive and biliary tracts.

Generic Name
Phloroglucinol
DrugBank Accession Number
DB12944
Background

Phloroglucinol has been used in trials studying the diagnostic of Colonoscopy.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 126.11
Monoisotopic: 126.031694058
Chemical Formula
C6H6O3
Synonyms
  • Phloroglucin
  • Phloroglucinol

Pharmacology

Indication

Not Available

Pharmacology
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Associated Conditions
Contraindications & Blackbox Warnings
Contraindications
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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
Adverseeffects
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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
A03AX12 — Phloroglucinol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phloroglucinols and derivatives. These are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenols
Sub Class
Benzenetriols and derivatives
Direct Parent
Phloroglucinols and derivatives
Alternative Parents
1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Polyols / Hydrocarbon derivatives
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Aromatic homomonocyclic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic oxygen compound / Organooxygen compound / Phloroglucinol derivative / Polyol
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
benzenetriol (CHEBI:16204) / a small molecule (CPD-16)
Affected organisms
Not Available

Chemical Identifiers

UNII
DHD7FFG6YS
CAS number
108-73-6
InChI Key
QCDYQQDYXPDABM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
IUPAC Name
benzene-1,3,5-triol
SMILES
OC1=CC(O)=CC(O)=C1

References

General References
  1. AIFA Product Information: Spasmex (phloroglucinol or phloroglucinol/trimethoxybenzene) [Link]
Human Metabolome Database
HMDB0013675
KEGG Compound
C02183
PubChem Compound
359
PubChem Substance
347829087
ChemSpider
352
BindingDB
50249069
RxNav
8196
ChEBI
16204
ChEMBL
CHEMBL473159
ZINC
ZINC000000391883
PDBe Ligand
13X
Wikipedia
Phloroglucinol
PDB Entries
4hdk / 5mg5 / 6bza / 6zzx

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusDiagnosticColonoscopy1
3CompletedTreatmentAnti-spasmodics / Gastric Peristalsis / Non-sedative Endoscopy1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, orally disintegrating
Injection, solutionIntramuscular; Intravenous40 MG/4ML
Pill80 MG
SuppositoryRectal
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility35.8 mg/mLALOGPS
logP0.25ALOGPS
logP1.06ChemAxon
logS-0.55ALOGPS
pKa (Strongest Acidic)9.13ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area60.69 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity32 m3·mol-1ChemAxon
Polarizability11.69 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0037-1925000000-c724191b9103115057ca
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

Drug created on October 21, 2016 01:31 / Updated on June 12, 2021 10:54