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122-09-8 molecular structure
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2-methyl-1-phenylpropan-2-amine

ChemBase ID: 76
Molecular Formular: C10H15N
Molecular Mass: 149.2328
Monoisotopic Mass: 149.12044949
SMILES and InChIs

SMILES:
NC(Cc1ccccc1)(C)C
Canonical SMILES:
CC(Cc1ccccc1)(N)C
InChI:
InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
InChIKey:
DHHVAGZRUROJKS-UHFFFAOYSA-N

Cite this record

CBID:76 http://www.chembase.cn/molecule-76.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1-phenylpropan-2-amine
IUPAC Traditional name
phentermine
Brand Name
Adipex-P
Duromine
Fastin
Inoamin
Ionamin
Linyl
Lipopill
Lonamin
Mirapront
Normephentermine
Obenix
Obestin-30
Oby-Trim
Omnibex
Ona Mast
Ona-Mast
Phentercot
Phentermine Resin 30
Phentride
Pre-Sate
Pro-Fast
Teramine
Tora
Uritone
Wilpo
Wyamine Sulfate
Zantryl
Synonyms
Phentermine Hcl
Phentermine Hydrochloride
(alpha,alpha)-Dimethylphenethylamine
Phentermine
CAS Number
122-09-8
PubChem SID
160963539
46508515
PubChem CID
4771

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4771 external link
DrugBank DB00191 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -0.94001377  LogD (pH = 7.4) -0.5458378 
Log P 2.0848272  Molar Refractivity 48.3434 cm3
Polarizability 19.211359 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 2.32  LOG S -2.29 
Solubility (Water) 7.57e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
18.6 g/L expand Show data source
Hydrophobicity(logP)
2.2 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00191 external link
Item Information
Drug Groups illicit; approved
Description A central nervous system stimulant and sympathomimetic with actions and uses similar to those of dextroamphetamine. It has been used most frequently in the treatment of obesity. [PubChem]
Indication For the treatment and management of obesity.
Pharmacology Phentermine is indicated in the management of exogenous obesity as a short term (a few weeks) adjunct in a regimen of weight reduction based on caloric restriction. Phentermine hydrochloride is a sympathomimetic amine with pharmacologic activity similar to the prototype drugs of this class used in obesity, the amphetamines. Actions include central nervous system stimulation and elevation of blood pressure. Tachyphylaxis and tolerance have been demonstrated with all drugs of this class in which these phenomena have been looked for.
Toxicity LD50 is adult monkeys is 15 to 20 mg/kg. Symptoms of overdose include delirium, mania, self-injury, marked hypertension, tachycardia, arrhythmia, hyperpyrexia, convulsion, coma, and circulatory collapse.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Phentermine is rapidly absorbed after oral ingestion.
Half Life 16 to 31 hours
Protein Binding Approximately 96.3%
References
Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60. [Pubmed]
Nelson DL, Gehlert DR: Central nervous system biogenic amine targets for control of appetite and energy expenditure. Endocrine. 2006 Feb;29(1):49-60. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60. Pubmed
  • • Nelson DL, Gehlert DR: Central nervous system biogenic amine targets for control of appetite and energy expenditure. Endocrine. 2006 Feb;29(1):49-60. Pubmed
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PATENTS

PATENTS

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INTERNET

INTERNET

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