CAS 3239-45-0|CAS 3616-78-2|CAS 404-82-0|CAS 113775-47-6|(+)-N-Ethyl-α-methyl-m-[trifluoromethyl]phenethylamine hydrochloride|dexfenfluramine hydrochloride|Dexfenfluramine hydrochloride|ethyl[(2S)-...

General Information

Structure

Molecular Formula

C₁₂H₁₇ClF₃N

Molecular Mass

267.7182896

Exact Mass

267.10016189

Charge

InChI

InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H/t9-;/m0./s1

InChIKey

ZXKXJHAOUFHNAS-FVGYRXGTSA-N

Canonic Smiles

CCN[C@H](Cc1cccc(c1)C(F)(F)F)C.Cl

Isomeric Smiles

CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.24381867

LogD (pH = 7.4)

0.7935381

Log P

3.4714873

Molar Refractivity

59.2021

Polarizability

21.97514

Polar Surface Area

12.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(+)-N-Ethyl-α-methyl-m-[trifluoromethyl]phenethylamine hydrochlorideDexfenfluramine hydrochloride(+)-Fenfluramine hydrochloride(S)-4-[1-(2,3-Dimethylphenyl)ethyl]-1H-imidazoleIsomeride5-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole(αS)-N-Ethyl-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloride(S)-(+)-Fenfluramine Hydrochloridel-Fenfluramine HydrochlorideAdipominS5614 HClGlypolix(αR)-N-Ethyl-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloride(+)-N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine HydrochlorideAdifax(+)-Fenfluramine HydrochlorideAcinoPondiminObedrex(S)-Medetomidine(+)-MedetomidinePonderalN-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine HydrochlorideMPV 1440DexmedetomidineRotondinPesosN-Ethyl-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloriderac Fenfluramine Hydrochlorided-Medetomidine(-)-Fenfluramine Hydrochloride(R)-(-)-Fenfluramine Hydrochloride(-)-N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine Hydrochloride

IUPAC Traditional name

dexfenfluramine hydrochloride

IUPAC name

ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

3239-45-03616-78-2404-82-0113775-47-6

EC Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Product Information

Certificate of Analysis

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

F112

Other Notes
Active isomer
Biochem/physiol Actions
(+)-Fenfluramine is a serotonin uptake inhibitor; anoxexic. (+)-Fenfluramine is neurotoxic on prolonged administration or at high dosage. (+)-Fenfluramine releases serotonin from axon terminals by a nonexocytotic mechanism.

TRC

D299000

α2-Adrenergic agonist; (+)-isomer of Medetomidine; sedative; analgesic.

F247596

Anorexic.

F247600

Anorexic.

F247595

Anorexic.

Molecule Details

References

PubChem Literature

From Data Sources

• Talke, P., et al.: Anesth. Analg., 85, 1136 (1994)

• Jalonen, J., et al.: Anesthesiology, 86, 331 (1994)

• Bhana, N., et al.: Drugs, 59, 263 (1994)

• Rajala, R., et al.: Eur. J. Pharm. Sci., 1, 219 (1994)

• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)

• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)

• Pinder, et al.: Drugs, 10, 241 (1975)

• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)

• Pinder, et al.: Drugs, 10, 241 (1975)

• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)

• Pinder, et al.: Drugs, 10, 241 (1975)

• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)

• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC Traditional name

dexfenfluramine hydrochloride

IUPAC name

ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine hydrochloride

Registration numbers

CAS Number

3239-45-03616-78-2404-82-0113775-47-6

EC Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

F112

D299000

α2-Adrenergic agonist; (+)-isomer of Medetomidine; sedative; analgesic.

F247596

Anorexic.

F247600

Anorexic.

F247595

Anorexic.

References

PubChem Literature

From Data Sources

• Talke, P., et al.: Anesth. Analg., 85, 1136 (1994)

• Jalonen, J., et al.: Anesthesiology, 86, 331 (1994)

• Bhana, N., et al.: Drugs, 59, 263 (1994)

• Rajala, R., et al.: Eur. J. Pharm. Sci., 1, 219 (1994)

• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)

• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)

• Pinder, et al.: Drugs, 10, 241 (1975)

• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)

• Pinder, et al.: Drugs, 10, 241 (1975)

• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)

• Pinder, et al.: Drugs, 10, 241 (1975)

• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)

• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)

Bioactivity

PubChem BioAssay

Properties

Product Information

Certificate of Analysis

Download link

Molecule

ID:131516