Deacetylbisacodyl
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Deacetylbisacodyl
- DrugBank Accession Number
- DB14232
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 277.323
Monoisotopic: 277.110278727 - Chemical Formula
- C18H15NO2
- Synonyms
- BHPM
- DDPM
- Dihydroxydiphenyl-pyridyl methane
- External IDs
- BRN 0212040
- LA 96
- LA-96
Pharmacology
- Indication
Not Available
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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
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcetazolamide The risk or severity of dehydration can be increased when Acetazolamide is combined with Deacetylbisacodyl. Aclidinium The therapeutic efficacy of Deacetylbisacodyl can be decreased when used in combination with Aclidinium. Alfentanil The therapeutic efficacy of Deacetylbisacodyl can be decreased when used in combination with Alfentanil. Alloin The risk or severity of adverse effects can be increased when Deacetylbisacodyl is combined with Alloin. Amantadine The therapeutic efficacy of Deacetylbisacodyl can be decreased when used in combination with Amantadine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- R09078E41Y
- CAS number
- 603-41-8
- InChI Key
- LJROKJGQSPMTKB-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H15NO2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14/h1-12,18,20-21H
- IUPAC Name
- 4-[(4-hydroxyphenyl)(pyridin-2-yl)methyl]phenol
- SMILES
- OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C1=CC=CC=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 62268
- 1872905
- ChEMBL
- CHEMBL3544537
- ZINC
- ZINC000005224913
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 0.0657 mg/mL ALOGPS logP 3.36 ALOGPS logP 3.79 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 9.57 Chemaxon pKa (Strongest Basic) 4.09 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 53.35 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.85 m3·mol-1 Chemaxon Polarizability 29.86 Å3 Chemaxon Number of Rings 3 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 180.825448 predictedDarkChem Lite v0.1.0 [M-H]- 180.825448 predictedDarkChem Lite v0.1.0 [M-H]- 164.11697 predictedDeepCCS 1.0 (2019) [M+H]+ 181.658248 predictedDarkChem Lite v0.1.0 [M+H]+ 181.658248 predictedDarkChem Lite v0.1.0 [M+H]+ 166.47499 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.093948 predictedDarkChem Lite v0.1.0 [M+Na]+ 181.093948 predictedDarkChem Lite v0.1.0 [M+Na]+ 172.56813 predictedDeepCCS 1.0 (2019)
Drug created at July 05, 2018 00:45 / Updated at June 12, 2020 16:53