Phloroglucinol
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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
- Weight
- Average: 126.11
Monoisotopic: 126.031694058 - Chemical Formula
- C6H6O3
- Synonyms
- Phloroglucin
- Phloroglucinol
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination for symptomatic treatment of Functional gastrointestinal disorders Combination Product in combination with: 1,3,5-Trimethoxybenzene (DB15875) •••••••••••• ••••• •••••••••••• •••••• Symptomatic treatment of Functional gastrointestinal disorders •••••••••••• ••••• ••••••• •••••• •••••••••••••• Symptomatic treatment of Pain •••••••••••• •••••••••• •••••••• Used in combination for symptomatic treatment of Renal colic Combination Product in combination with: 1,3,5-Trimethoxybenzene (DB15875) •••••••••••• ••••• •••••••••••• •••••• Symptomatic treatment of Renal colic •••••••••••• •••••••••• •••••••• - Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image SPASMEX Phloroglucinol (150 mg) + 1,3,5-Trimethoxybenzene (150 mg) Suppository Rectal Scharper S.P.A. 2014-07-08 Not applicable Italy SPASMEX Phloroglucinol (80 mg) + 1,3,5-Trimethoxybenzene (80 mg) Tablet Oral Scharper S.P.A. 2014-07-08 Not applicable Italy
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 Not Available Not Yet Recruiting Treatment Renal Colic 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet, orally disintegrating 80 MG Capsule Oral Solution Oral 2. g 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 123.0535196 predictedDarkChem Lite v0.1.0 [M-H]- 122.9033196 predictedDarkChem Lite v0.1.0 [M-H]- 117.85135 predictedDeepCCS 1.0 (2019) [M+H]+ 124.6367196 predictedDarkChem Lite v0.1.0 [M+H]+ 124.5514196 predictedDarkChem Lite v0.1.0 [M+H]+ 121.72023 predictedDeepCCS 1.0 (2019) [M+Na]+ 123.4969196 predictedDarkChem Lite v0.1.0 [M+Na]+ 123.4018196 predictedDarkChem Lite v0.1.0 [M+Na]+ 130.71329 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:31 / Updated at June 12, 2021 10:54