Identification
- Generic Name
- Aminorex
- DrugBank Accession Number
- DB01490
- Background
Aminorex is an amphetamine-like anorectic agent. It may cause pulmonary hypertension.
- Type
- Small Molecule
- Groups
- Experimental, Illicit
- Structure
Structure for Aminorex (DB01490)
- Weight
- Average: 162.1885
Monoisotopic: 162.079312952 - Chemical Formula
- C9H10N2O
- Synonyms
- Aminorex
- Aminorexum
- External IDs
- McN 742
- McN-742
Pharmacology
- Indication
Not Available
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Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Apiquel
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Not Available
- Direct Parent
- Benzene and substituted derivatives
- Alternative Parents
- Oxazolines / Isoureas / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Carboximidamides / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
- Substituents
- Aromatic heteromonocyclic compound / Azacycle / Carboximidamide / Hydrocarbon derivative / Isourea / Monocyclic benzene moiety / Organic 1,3-dipolar compound / Organic nitrogen compound / Organic oxygen compound / Organoheterocyclic compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2SH16612I9
- CAS number
- 2207-50-3
- InChI Key
- SYAKTDIEAPMBAL-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
- IUPAC Name
- 5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
- SMILES
- NC1=NCC(O1)C1=CC=CC=C1
References
- Synthesis Reference
- US3161650
- General References
- Not Available
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 137 °C PhysProp - Predicted Properties
Property Value Source Water Solubility 0.792 mg/mL ALOGPS logP 1.16 ALOGPS logP 1.46 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 19.48 Chemaxon pKa (Strongest Basic) 7.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 47.61 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 45.75 m3·mol-1 Chemaxon Polarizability 16.97 Å3 Chemaxon Number of Rings 2 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
Property Value Probability Human Intestinal Absorption + 1.0 Blood Brain Barrier + 0.9903 Caco-2 permeable - 0.5458 P-glycoprotein substrate Non-substrate 0.7834 P-glycoprotein inhibitor I Non-inhibitor 0.9726 P-glycoprotein inhibitor II Non-inhibitor 0.9295 Renal organic cation transporter Non-inhibitor 0.7325 CYP450 2C9 substrate Non-substrate 0.8176 CYP450 2D6 substrate Non-substrate 0.7575 CYP450 3A4 substrate Non-substrate 0.6674 CYP450 1A2 substrate Inhibitor 0.5315 CYP450 2C9 inhibitor Non-inhibitor 0.6468 CYP450 2D6 inhibitor Non-inhibitor 0.7673 CYP450 2C19 inhibitor Non-inhibitor 0.782 CYP450 3A4 inhibitor Non-inhibitor 0.9578 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.762 Ames test Non AMES toxic 0.5633 Carcinogenicity Non-carcinogens 0.8851 Biodegradation Not ready biodegradable 0.9556 Rat acute toxicity 2.5964 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.941 hERG inhibition (predictor II) Non-inhibitor 0.9185
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at July 31, 2007 13:09 / Updated at February 21, 2021 18:51