Explore a selection of our essential drug information below, or:
Overview
- DrugBank ID
- DB08924
- Type
- Small Molecule
- Clinical Trials
- Phase 0
- 0
- Phase 1
- 0
- Phase 2
- 0
- Phase 3
- 0
- Phase 4
- 0
Identification
- Generic Name
- Amfecloral
- DrugBank Accession Number
- DB08924
- Background
Amfecloral is a stimulant drug of the phenethylamine and amphetamine chemical classes. For a short period of time, it was available under the brand Acutran and indicated as an appetite suppressant, but this product no longer exists. It acts as a prodrug which splits to form amphetamine and chloral hydrate, similarly to clobenzorex and related compounds, except that the N-substituent, in this case, yields a compound that is active in its own right. The chloral hydrate metabolite is a gabaminergic sedative/hypnotic, and would in theory counteract some of the stimulant effects of the amphetamine metabolite. This would produce an effect similar to the amphetamine/barbiturate combinations previously used in psychiatric medications.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Amfecloral (DB08924)
- Weight
- Average: 264.579
Monoisotopic: 263.00353251 - Chemical Formula
- C11H12Cl3N
- Synonyms
- Amfecloral
- Amphecloral
Pharmacology
- Indication
Used as an appetite suppressant.
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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.- International/Other Brands
- Acutran
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenethylamines
- Direct Parent
- Amphetamines and derivatives
- Alternative Parents
- Phenylpropanes / Shiff bases / Propargyl-type 1,3-dipolar organic compounds / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives / Alkyl chlorides
- Substituents
- Aldimine / Alkyl chloride / Alkyl halide / Amphetamine or derivatives / Aromatic homomonocyclic compound / Hydrocarbon derivative / Imine / Organic 1,3-dipolar compound / Organic nitrogen compound / Organochloride
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Humans and other mammals
Chemical Identifiers
- UNII
- 6015XOA0BI
- CAS number
- 5581-35-1
- InChI Key
- VBZDETYCYXPOAK-OVCLIPMQSA-N
- InChI
- InChI=1S/C11H12Cl3N/c1-9(15-8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b15-8+
- IUPAC Name
- (E)-(1-phenylpropan-2-yl)(2,2,2-trichloroethylidene)amine
- SMILES
- CC(CC1=CC=CC=C1)\N=C\C(Cl)(Cl)Cl
References
- General References
- Not Available
- External Links
- KEGG Drug
- D02926
- PubChem Compound
- 21759
- PubChem Substance
- 175427157
- ChemSpider
- 20451
- ChEBI
- 135924
- ChEMBL
- CHEMBL2105544
- Wikipedia
- Amfecloral
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
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000298 mg/mL ALOGPS logP 4.72 ALOGPS logP 4.04 Chemaxon logS -6 ALOGPS pKa (Strongest Basic) 4.36 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.36 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 67.97 m3·mol-1 Chemaxon Polarizability 25.36 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes 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 splash10-00kf-8910000000-50f8895064bea6959693 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0090000000-3e9ad044efad251f5860 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9810000000-9b95f6adbe9bab6c3307 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0090000000-c66ea68936514c2c08ef Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9550000000-4f68588bdc8a97909b68 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-5190000000-e4a5baffe2270cdfdbbc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pvu-6940000000-754247570ddde1a0ec1b 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]- 149.62218 predictedDeepCCS 1.0 (2019) [M+H]+ 152.01775 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.0259 predictedDeepCCS 1.0 (2019)
Drug created at October 08, 2013 20:24 / Updated at February 21, 2021 18:52