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
- Dibutylsuccinate
- DrugBank Accession Number
- DB13332
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Dibutylsuccinate (DB13332)
- Weight
- Average: 230.304
Monoisotopic: 230.151809188 - Chemical Formula
- C12H22O4
- Synonyms
- Dibutyl succinate
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
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
Categories
- ATC Codes
- P03BX04 — Dibutylsuccinate
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Fatty Acyls
- Sub Class
- Fatty acid esters
- Direct Parent
- Fatty acid esters
- Alternative Parents
- Dicarboxylic acids and derivatives / Carboxylic acid esters / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives / Fatty acid ester / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- dicarboxylic acid (CHEBI:82263) / Insect repellents (C19143)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q050512U41
- CAS number
- 141-03-7
- InChI Key
- YUXIBTJKHLUKBD-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3
- IUPAC Name
- 1,4-dibutyl butanedioate
- SMILES
- CCCCOC(=O)CCC(=O)OCCCC
References
- General References
- Not Available
- External Links
- KEGG Compound
- C19143
- ChemSpider
- 13865454
- ChEBI
- 82263
- ChEMBL
- CHEMBL1788388
- ZINC
- ZINC000001576862
Clinical Trials
- Clinical Trials
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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 0.339 mg/mL ALOGPS logP 3.08 ALOGPS logP 2.54 Chemaxon logS -2.8 ALOGPS pKa (Strongest Basic) -6.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 52.6 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 60.82 m3·mol-1 Chemaxon Polarizability 26.66 Å3 Chemaxon Number of Rings 0 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]- 168.9179888 predictedDarkChem Lite v0.1.0 [M-H]- 169.1700888 predictedDarkChem Lite v0.1.0 [M-H]- 151.08131 predictedDeepCCS 1.0 (2019) [M+H]+ 168.5167888 predictedDarkChem Lite v0.1.0 [M+H]+ 167.3984888 predictedDarkChem Lite v0.1.0 [M+H]+ 153.4393 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.7328888 predictedDarkChem Lite v0.1.0 [M+Na]+ 161.61311 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at June 12, 2020 16:53