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176478

3-(4-Fluorobenzoyl)propionic acid

Name: 3-(4-Fluorobenzoyl)propionic acid
Brand: ALDRICH

97%

Synonym(s):

Haloperidol metabolite III, R 11302

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About This Item

Linear Formula:

FC₆H₄COCH₂CH₂CO₂H

CAS Number:

366-77-8

Molecular Weight:

196.18

PubChem Substance ID:

24850580

eCl@ss:

39040324

UNSPSC Code:

12352100

NACRES:

NA.22

EC Number:

206-679-1

MDL number:

MFCD00002793

Assay:

97%

Form:

solid

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Properties

assay

97%

form

solid

mp

100-102 °C (lit.)

SMILES string

OC(=O)CCC(=O)c1ccc(F)cc1

InChI

1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChI key

WUYWHIAAQYQKPP-UHFFFAOYSA-N

Description

General description

3-(4-Fluorobenzoyl)propionic acid is a metabolite of haloperidol, a dopamine D2 receptor blocker.

pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Role of CYP3A in haloperidol N-dealkylation and pharmacokinetics in rats.

M Watanabe et al.

Fundamental & clinical pharmacology, 13(3), 337-342 (1999-07-07)

Haloperidol (HP), an antipsychotic drug, is N-dealkylated by cytochrome P450 (CYP) to 4-fluorobenzoylpropionic acid (FBPA). The purpose of this study was to identify whether CYP3A metabolizes HP to FBPA in hepatic microsomes of rats and to investigate whether an inhibitor

CYP3A is responsible for N-dealkylation of haloperidol and bromperidol and oxidation of their reduced forms by human liver microsomes.

T Tateishi et al.

Life sciences, 67(24), 2913-2920 (2001-01-02)

We studied the biotransformation of haloperidol, bromperidol and their reduced forms by human liver microsomes. Nifedipine oxidation (CYP3A) activity correlated significantly with N-dealkylation rates of haloperidol and bromperidol and oxidation rates of their reduced forms, while neither ethoxyresorufin O-deethylation (CYP1A2)

Tissue distribution studies of [18F]haloperidol, [18F]-beta-(4-fluorobenzoyl)propionic acid, and [82Br]bromperidol by external scintigraphy.

G A Digenis et al.

Journal of pharmaceutical sciences, 70(9), 985-989 (1981-09-01)

Tissue distribution studies of [18F]haloperidol and [82Br]bromperidol, two potent neuroleptic drugs, were performed in rats by serial sacrifice. The usefulness of external scintigraphy in obtaining tissue distribution data in large animals is demonstrated by the tissue distribution of [18F]haloperidol in

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Global Trade Item Number

SKU	GTIN
176478-5G	04061831818970