NAV

Bibrocathol

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

Identification

Generic Name
Bibrocathol
DrugBank Accession Number
DB13818
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 649.667
Monoisotopic: 645.64632
Chemical Formula
C6HBiBr4O3
Synonyms
  • Bibrocathol
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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
S01AX05 — Bibrocathol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Bromobenzenes
Alternative Parents
Phenoxides / Aryl bromides / Organic metal halides / Organooxygen compounds / Organobromides / Organic oxoanionic compounds / Organic oxides / Hydrocarbon derivatives / Organic cations
Substituents
Aromatic homomonocyclic compound / Aryl bromide / Aryl halide / Bromobenzene / Hydrocarbon derivative / Organic cation / Organic hydroxide / Organic metal halide / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0KJ20H1BLJ
CAS number
6915-57-7
InChI Key
VTAVFIZOZUAKKE-UHFFFAOYSA-K
InChI
InChI=1S/C6H2Br4O2.Bi.H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h11-12H;;1H2/q;+3;/p-3
IUPAC Name
bismuth(3+) ion tetrabromobenzene-1,2-bis(olate) hydroxide
SMILES
[OH-].[Bi+3].[O-]C1=C([O-])C(Br)=C(Br)C(Br)=C1Br

References

General References
Not Available
ChemSpider
8276284
ChEBI
135953
ChEMBL
CHEMBL44875
Wikipedia
Bibrocathol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentBlepharitis / Signs and Symptoms1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
OintmentOphthalmic20 mg/g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.375 mg/mLALOGPS
logP4.37ALOGPS
logP4.44Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)6.26Chemaxon
pKa (Strongest Basic)-8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area46.12 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity81.61 m3·mol-1Chemaxon
Polarizability23.03 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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-MSsplash10-0a4i-0000009000-b46bcec405a0de1bbb8a
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54