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Benfluorex hydrochloride

Benfluorex hydrochloride structure

CAS No:
23642-66-2
Formula:
C19H20F3NO2.ClH
Chemical Name:
Benfluorex hydrochloride
Synonyms:
Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-,1-benzoate,hydrochloride (1:1);Ethanol,2-[[α-methyl-m-(trifluoromethyl)phenethyl]amino]-,benzoate (ester),hydrochloride;Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-,benzoate (ester),hydrochloride;Mediator;Benfluorex hydrochloride;(±)-N-(2-Benzoyloxyethyl)norfenfluramine hydrochloride;Mediaxal;JP 992;S 992;22471-86-9
Categories:
Analytical Chemistry > Standard

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Description

Benfluorex hydrochloride (JP-992 hydrochloride) is a hepatic nuclear factor 4 alpha (HNF4α) activator.

Benfluorex hydrochloride Basic Attributes

Molecular Weight：

387.82

Exact Mass：

387.12100

EC Number：

245-801-8

NSC Number：

757396

DSSTox ID：

DTXSID8045854

Characteristics

PSA：

38.3

XLogP3：

5.27590

Appearance：

COA

Density：

1.183g/cm3

Melting Point：

161-162 °C

Boiling Point：

420.5ºC at 760mmHg

Flash Point：

208.1ºC

Storage Conditions：

Refrigerator

Vapor Pressure：

2.81E-07mmHg at 25°C

Toxicity：

LD50 intraperitoneal in mouse: 108mg/kg

Collision Cross Section：

180.8 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

KL8275000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents that are used to suppress appetite. (See all compounds classified as Appetite Depressants.)|Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)

MeSH Entry Terms：

1-(2-trifluoromethylphenyl)-2-(benzoyloxyethyl)aminopropane HCl

Benfluorex hydrochloride Use and Manufacturing

Used as an antihyperlipoproteinemic therapeutic

Computed Properties

Molecular Weight:387.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:387.1212911
Monoisotopic Mass:387.1212911
Topological Polar Surface Area:38.3
Heavy Atom Count:26
Complexity:408
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes