Bunamidine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Bunamidine
- DrugBank Accession Number
- DB11501
- Background
Bunamidine is a veterinary anti-platyhelmintic agent used for taenia infestations.
- Type
- Small Molecule
- Groups
- Vet approved
- Structure
- Weight
- Average: 382.592
Monoisotopic: 382.298413852 - Chemical Formula
- C25H38N2O
- Synonyms
- Bunamidina
- Bunamidine
- Bunamidinum
- N,N-Dibutyl-4-(hexyloxy)-1-naphthamidine
- N,N-Dibutyl-4-hexyloxy-1-naphthamidin
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
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Bunamidine hydrochloride Y80LB0Q7CB 1055-55-6 PBYJDHRFPFHVKZ-UHFFFAOYSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Naphthalenes
- Sub Class
- Not Available
- Direct Parent
- Naphthalenes
- Alternative Parents
- Alkyl aryl ethers / Carboximidamides / Carboxamidines / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Alkyl aryl ether / Amidine / Aromatic homopolycyclic compound / Carboximidamide / Carboxylic acid amidine / Ether / Hydrocarbon derivative / Naphthalene / Organic nitrogen compound / Organic oxygen compound
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A9IW1G3P6C
- CAS number
- 3748-77-4
- InChI Key
- FGGFIMIICGZCCJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3
- IUPAC Name
- N,N-dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide
- SMILES
- CCCCCCOC1=C2C=CC=CC2=C(C=C1)C(=N)N(CCCC)CCCC
References
- General References
- King AB: Bunamidine hydrochloride in dogs. J Am Vet Med Assoc. 1976 Nov 1;169(9):854, 856, 858. [Article]
- Hatton CJ: Efficiency of bunamidine salts against tapeworms. Vet Rec. 1967 Jul 22;81(4):104-6. [Article]
- Menrath RL, Sharard A, Gray KW, Cameron CW: Toxicity of bunamidine. 2. Metabolic effects. N Z Vet J. 1973 Oct;21(10):212-5. [Article]
- Fastier FN: Pharmacological aspects of bunamidine dosing of dogs. N Z Vet J. 1972 Aug;20(8):148-51. [Article]
- McCulloch B, Kasimbala S: The efficiency of bunamidine hydroxynaphthoate in poultry. Vet Rec. 1967 Sep 2;81(10):226-30. [Article]
- Fastier FN, Menrath RL, Sharard A, Ng J: Toxicity of bunamidine: 1. Cardiovascular effects. N Z Vet J. 1973 Sep;21(9):201-4. [Article]
- Shearer GC, Gemmell MA: The efficiency of bunamidine hydroxynaphthoate against Echinococcus granulosus in dogs. Res Vet Sci. 1969 May;10(3):296-9. [Article]
- Fastier FN, Bills GN: Toxicity of bunamidine. 3. Trial of propranolol as antidote. N Z Vet J. 1973 Oct;21(10):216-7. [Article]
- Aronson CE, Hanno ER: Effects of bunamidine on the isolated perfused rat heart. Gen Pharmacol. 1978;9(2):101-12. [Article]
- Thakur AS, Prezioso U, Marchevsky N: Echinococcus granulosus: ovicidal activity of praziquantel and bunamidine hydrochloride. Exp Parasitol. 1979 Apr;47(2):131-3. [Article]
- External Links
- ChemSpider
- 11644438
- ChEMBL
- CHEMBL1355596
- ZINC
- ZINC000004215129
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 9.22e-05 mg/mL ALOGPS logP 7.04 ALOGPS logP 7.13 Chemaxon logS -6.6 ALOGPS pKa (Strongest Basic) 11.36 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 36.32 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 131.54 m3·mol-1 Chemaxon Polarizability 48.76 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0049000000-d28522c8f0ca00b694e0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0029000000-96f5cbc7a64ff93b189f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-9084000000-0676073c55f22c72a36f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0036-4983000000-8a82cf31204f542fac76 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-08gl-6940000000-bc5224acc7f30f6007d9 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00kp-1190000000-716bd268daee70ccef40 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 223.3382128 predictedDarkChem Lite v0.1.0 [M-H]- 203.60092 predictedDeepCCS 1.0 (2019) [M+H]+ 223.3738128 predictedDarkChem Lite v0.1.0 [M+H]+ 206.05559 predictedDeepCCS 1.0 (2019) [M+Na]+ 223.0203128 predictedDarkChem Lite v0.1.0 [M+Na]+ 212.50117 predictedDeepCCS 1.0 (2019)
Drug created at February 26, 2016 17:25 / Updated at February 21, 2021 18:53