ContaminantDB: Diethylpropion hydrochloride

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 06:21:44 UTC

Update Date

2016-11-09 01:16:02 UTC

Accession Number

CHEM019641

Identification

Common Name

Diethylpropion hydrochloride

Class

Small Molecule

Description

The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity.

Contaminant Sources

STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(Diethylamino)-1-phenylpropan-1-one hydrochloride	ChEBI
2-(Diethylamino)propiophenone hydrochloride	ChEBI
alpha-Benzoyltriethylamine hydrochloride	ChEBI
alpha-Benzoyltriethylammonium chloride	ChEBI
Amfepramone HCL	ChEBI
Amfepramone hydrochloride	ChEBI
Amphepramonum hydrochloride	ChEBI
Diethylpropion HCL	ChEBI
Tenuate	ChEBI
a-Benzoyltriethylamine hydrochloride	Generator
Α-benzoyltriethylamine hydrochloride	Generator
a-Benzoyltriethylammonium chloride	Generator
Α-benzoyltriethylammonium chloride	Generator
Tenuic acid	Generator
Artegodan brand OF amfepramone hydrochloride	MeSH
Investigacion farmaceutica brand OF amfepramone hydrochloride	MeSH
Tepanil	MeSH
Uriach brand OF amfepramone hydrochloride	MeSH
dexo Brand OF amfepramone hydrochloride	MeSH
Dietil-retard	MeSH
Ifa norex	MeSH
Marion merrell brand OF amfepramone hydrochloride	MeSH
Maruate	MeSH
Nadeau brand OF amfepramone hydrochloride	MeSH
Neobes	MeSH
Phepranon	MeSH
pro DOC Brand OF amfepramone hydrochloride	MeSH
Regenon	MeSH
Amfepramon	MeSH
Amfepramone	MeSH
Crinex brand OF amfepramone hydrochloride	MeSH
Delgamer	MeSH
Dietil retard	MeSH
Hoechst brand OF amfepramone hydrochloride	MeSH
Hydrochloride, diethylpropion	MeSH
Marion merrell dow brand OF amfepramone hydrochloride	MeSH
Modératan	MeSH
Nobesine	MeSH
Norex, ifa	MeSH
Temmler brand OF amfepramone hydrochloride	MeSH
2-Diethylaminopropiophenone	MeSH
3m Brand OF amfepramone hydrochloride	MeSH
Anorex	MeSH
Diethylpropion	MeSH
Dietilretard	MeSH
Lipomin	MeSH
Medic brand OF amfepramone hydrochloride	MeSH
Medix brand OF amfepramone hydrochloride	MeSH
Propion	MeSH
Préfamone	MeSH
Regibon	MeSH
Théranol brand OF amfepramone hydrochloride	MeSH
Vortech brand OF amfepramone hydrochloride	MeSH

Chemical Formula

C₁₃H₂₀ClNO

Average Molecular Mass

241.757 g/mol

Monoisotopic Mass

241.123 g/mol

CAS Registry Number

134-80-5

IUPAC Name

2-(diethylamino)-1-phenylpropan-1-one hydrochloride

Traditional Name

diethylpropion hydrochloride

SMILES

Cl.CCN(CC)C(C)C(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C13H19NO.ClH/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12;/h6-11H,4-5H2,1-3H3;1H

InChI Key

ICFXZZFWRWNZMA-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Alkyl-phenylketones

Alternative Parents

Substituents

Alkyl-phenylketone
Phenylpropane
Benzoyl
Aryl alkyl ketone
Monocyclic benzene moiety
Benzenoid
Alpha-aminoketone
Tertiary amine
Tertiary aliphatic amine
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Organic oxide
Organopnictogen compound
Amine
Hydrochloride
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

hydrochloride (CHEBI:643703 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	1.22 g/L	ALOGPS
logP	2.8	ALOGPS
logP	2.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	17.43	ChemAxon
pKa (Strongest Basic)	7.44	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	20.31 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	63.88 m³·mol⁻¹	ChemAxon
Polarizability	23.96 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

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0090000000-3d768855e3432fdd8bc7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0006-0090000000-3d768855e3432fdd8bc7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-0090000000-3d768855e3432fdd8bc7	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0090000000-62f8532037995c08df53	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0090000000-62f8532037995c08df53	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-0090000000-62f8532037995c08df53	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT000484

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Amfepramone

Chemspider ID

Not Available

ChEBI ID

643703

PubChem Compound ID

91442

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Diethylpropion hydrochloride (CHEM019641)

Structure for CHEM019641: Diethylpropion hydrochloride