NAV

Clobenzorex

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Clobenzorex
DrugBank Accession Number
DB13561
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 259.78
Monoisotopic: 259.1127773
Chemical Formula
C16H18ClN
Synonyms
  • Clobenzorex
External IDs
  • SD 271-12
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

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Product Ingredients
IngredientUNIICASInChI Key
Clobenzorex hydrochlorideBC6X5MB6645843-53-8ASTCUURTJCZRSC-ZOWNYOTGSA-N
Active Moieties
NameKindUNIICASInChI Key
DextroamphetamineprodrugTZ47U051FI51-64-9KWTSXDURSIMDCE-QMMMGPOBSA-N

Categories

ATC Codes
A08AA08 — Clobenzorex
Drug Categories
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 / Phenylmethylamines / Benzylamines / Chlorobenzenes / Aralkylamines / Aryl chlorides / Dialkylamines / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
Amine / Amphetamine or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Benzylamine / Chlorobenzene / Halobenzene / Hydrocarbon derivative
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4A5352XI2A
CAS number
13364-32-4
InChI Key
LRXXRIXDSAEIOR-ZDUSSCGKSA-N
InChI
InChI=1S/C16H18ClN/c1-13(11-14-7-3-2-4-8-14)18-12-15-9-5-6-10-16(15)17/h2-10,13,18H,11-12H2,1H3/t13-/m0/s1
IUPAC Name
[(2-chlorophenyl)methyl][(2S)-1-phenylpropan-2-yl]amine
SMILES
C[C@@H](CC1=CC=CC=C1)NCC1=CC=CC=C1Cl

References

General References
Not Available
ChemSpider
643140
RxNav
21244
ChEBI
135069
ZINC
ZINC000019890801
Wikipedia
Clobenzorex

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral30.00 mg
CapsuleOral30.0 mg
TabletOral60.000 mg
CapsuleOral30.000 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00105 mg/mLALOGPS
logP4.27ALOGPS
logP4.57Chemaxon
logS-5.4ALOGPS
pKa (Strongest Basic)8.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area12.03 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity77.9 m3·mol-1Chemaxon
Polarizability29.34 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00ou-2910000000-2c14247275bebe84cf72
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0290000000-f81af99eabf78298d4eb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-4290000000-d4a90faeeb9cb7302b4a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-2930000000-0a11a008766bc26dd498
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9200000000-8de0e183d9157ac669fe
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-f2dd7b0e2fa7db4725e5
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052f-6900000000-76d0338097a8e6c89218
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-154.97328
predicted
DeepCCS 1.0 (2019)
[M+H]+157.34602
predicted
DeepCCS 1.0 (2019)
[M+Na]+163.42442
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54