This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Bibrocathol
- DrugBank Accession Number
- DB13818
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Bibrocathol (DB13818)
- Weight
- Average: 649.667
Monoisotopic: 645.64632 - Chemical Formula
- C6HBiBr4O3
- Synonyms
- Bibrocathol
Pharmacology
- Indication
Not Available
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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
- 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
- External Links
- ChemSpider
- 8276284
- ChEBI
- 135953
- ChEMBL
- CHEMBL44875
- Wikipedia
- Bibrocathol
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Ointment Ophthalmic 20 mg/g - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.375 mg/mL ALOGPS logP 4.37 ALOGPS logP 4.44 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 6.26 Chemaxon pKa (Strongest Basic) -8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 46.12 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 81.61 m3·mol-1 Chemaxon Polarizability 23.03 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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 splash10-0a4i-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