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
Structure for Phloroglucinol (DB12944)
- Weight
- Average: 126.11
Monoisotopic: 126.031694058 - Chemical Formula
- C6H6O3
- Synonyms
- Phloroglucin
- Phloroglucinol
Pharmacology
- Indication
Not Available
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- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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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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
- AIFA Product Information: Spasmex (phloroglucinol or phloroglucinol/trimethoxybenzene) [Link]
- External Links
- Human Metabolome Database
- HMDB0013675
- KEGG Compound
- C02183
- PubChem Compound
- 359
- PubChem Substance
- 347829087
- ChemSpider
- 352
- BindingDB
- 50249069
- 8196
- ChEBI
- 16204
- ChEMBL
- CHEMBL473159
- ZINC
- ZINC000000391883
- PDBe Ligand
- 13X
- Wikipedia
- Phloroglucinol
- PDB Entries
- 4hdk / 5mg5 / 6bza / 6zzx
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Unknown Status Diagnostic Colonoscopy 1 3 Completed Treatment Anti-spasmodics / Gastric Peristalsis / Non-sedative Endoscopy 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, orally disintegrating Injection, solution Intramuscular; Intravenous 40 MG/4ML Pill 80 MG Suppository Rectal Tablet Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 35.8 mg/mL ALOGPS logP 0.25 ALOGPS logP 1.06 Chemaxon logS -0.55 ALOGPS pKa (Strongest Acidic) 9.13 Chemaxon pKa (Strongest Basic) -5.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 60.69 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 32 m3·mol-1 Chemaxon Polarizability 11.69 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available GC-MS Spectrum - GC-EI-TOF GC-MS splash10-0037-1925000000-c724191b9103115057ca Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 01:31 / Updated at June 12, 2021 10:54