Hexobendine
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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
- Hexobendine
- DrugBank Accession Number
- DB13265
- Background
Hexobendine is a medication used to cause vasodilation, to treat several conditions including angina pectoris. It has not been approved in the United States or the United Kingdom, but has been used widely in Austria and Germany 1.
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 592.686
Monoisotopic: 592.299595625 - Chemical Formula
- C30H44N2O10
- Synonyms
- Hexobendine
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 softwareIloprost Iloprost may increase the hypotensive activities of Hexobendine. Isosorbide mononitrate Hexobendine may increase the vasodilatory activities of Isosorbide mononitrate. Patent Blue The therapeutic efficacy of Hexobendine can be decreased when used in combination with Patent Blue. - Food Interactions
- Not Available
Categories
- ATC Codes
- C01DX06 — Hexobendine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- Gallic acid and derivatives
- Alternative Parents
- P-methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives / Benzoic acid esters / Phenoxy compounds / Methoxybenzenes / Benzoyl derivatives / Anisoles / Alkyl aryl ethers / Dicarboxylic acids and derivatives / Trialkylamines show 5 more
- Substituents
- Alkyl aryl ether / Amine / Amino acid or derivatives / Anisole / Aromatic homomonocyclic compound / Benzoate ester / Benzoyl / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives show 16 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- B6X4SYR93B
- CAS number
- 54-03-5
- InChI Key
- KRQAMFQCSAJCRH-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3
- IUPAC Name
- 3-[methyl(2-{methyl[3-(3,4,5-trimethoxybenzoyloxy)propyl]amino}ethyl)amino]propyl 3,4,5-trimethoxybenzoate
- SMILES
- COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1
References
- General References
- M.J. Denham (2012). The Treatment of Medical Problems in the Elderly Volume 3. Springer Science & Business Media. [ISBN:9789401162234]
- External Links
- ChemSpider
- 5573
- BindingDB
- 50225480
- 5303
- ChEBI
- 135843
- ChEMBL
- CHEMBL127300
- ZINC
- ZINC000022463202
- Wikipedia
- Hexobendine
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 0.0599 mg/mL ALOGPS logP 3.16 ALOGPS logP 2.99 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 9.26 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 114.46 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 158.75 m3·mol-1 Chemaxon Polarizability 65.57 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 253.8355731 predictedDarkChem Lite v0.1.0 [M-H]- 222.80533 predictedDeepCCS 1.0 (2019) [M+H]+ 254.7125731 predictedDarkChem Lite v0.1.0 [M+H]+ 225.20091 predictedDeepCCS 1.0 (2019) [M+Na]+ 255.5091731 predictedDarkChem Lite v0.1.0 [M+Na]+ 231.16862 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54