This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bromochlorosalicylanilide
- DrugBank Accession Number
- DB13696
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Bromochlorosalicylanilide (DB13696)
- Weight
- Average: 326.57
Monoisotopic: 324.950519 - Chemical Formula
- C13H9BrClNO2
- Synonyms
- Not Available
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.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.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
Categories
- ATC Codes
- D01AE01 — Bromochlorosalicylanilide
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Benzanilides
- Alternative Parents
- Salicylamides / 3-halobenzoic acids and derivatives / Benzamides / P-bromophenols / Benzoyl derivatives / 1-hydroxy-2-unsubstituted benzenoids / Bromobenzenes / Chlorobenzenes / Aryl bromides / Aryl chlorides show 9 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 3-halobenzoic acid or derivatives / 4-bromophenol / 4-halophenol / Aromatic homomonocyclic compound / Aryl bromide / Aryl chloride / Aryl halide / Benzamide / Benzanilide show 23 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6GK715PWMQ
- CAS number
- 3679-64-9
- InChI Key
- QBSGXIBYUQJHMJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
- IUPAC Name
- 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide
- SMILES
- OC1=CC=C(Br)C=C1C(=O)NC1=CC=C(Cl)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 69679
- ChEBI
- 135394
- ChEMBL
- CHEMBL153192
- ZINC
- ZINC000000001178
- Wikipedia
- Bromochlorosalicylanilide
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0168 mg/mL ALOGPS logP 4.9 ALOGPS logP 4.13 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 7.49 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 49.33 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 76 m3·mol-1 Chemaxon Polarizability 27.4 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 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 June 23, 2017 20:46 / Updated at June 12, 2020 16:53