FLOPROPIONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H10O4
Molecular Weight	182.1733
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(=O)C1=C(O)C=C(O)C=C1O

InChI

InChIKey=PTHLEKANMPKYDB-UHFFFAOYSA-N

InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H10O4
Molecular Weight	182.1733
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf

Flopropione is an antispasmodic agent developed to relieve spasms in patients with hepatobiliary disorders, pancreatitis and urinary calculus. The mode of action is based on the inhibition of catechol-o-methyl-transferase (COMT), resulting in an adrenergic action, and anti-serotonin action. The current marketing status of the drug is unknown and considered to be "discontinued".

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Catechol O-methyltransferase 21 Target ID: P21964 Gene ID: 1312.0 Gene Symbol: COMT Target Organism: Homo sapiens (Human) Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Biliary dyskinesia 1 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975
Cholelithiasis 14 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975
Cholecystitis 12 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975
Cholangitis 4 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975
Post-cholecystectomy syndrome 2 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975
Pancreatitis 16 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975
Urinary calculus 3 Sources: http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf	Primary	Approved 8429	COSPANON Approved Use Antispasmodic effect resulting from the following diseases: Hepatobiliary disorders: biliary dyskinesia, cholelithiasis, cholecystitis, cholangitis and post-cholecystectomy síndrome; Pancreatic disease: pancreatitis Urinary calculus. Launch Date 1975

PubMed

Title	Date	PubMed
Predictions of onset of crystallization from experimental relaxation times I-correlation of molecular mobility from temperatures above the glass transition to temperatures below the glass transition.	2006 Oct	16933094
Prediction of onset of crystallization from experimental relaxation times. II. Comparison between predicted and experimental onset times.	2008 Jan	17854050
Different measures of molecular mobility: comparison between calorimetric and thermally stimulated current relaxation times below Tg and correlation with dielectric relaxation times above Tg.	2008 Oct	18271035
Facilitation of expulsion of ureteral stones by addition of α1-blockers to conservative therapy.	2010 Dec	20604720
Positively charged calcium phosphate/polymer nanoparticles for photodynamic therapy.	2010 Mar	19924519

Patents

Sample Use Guides

In Vivo Use Guide

The usual adult dosage for oral use is 1 to 2 capsules (40-80 mg of flopropione) three times daily after meals.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:47:56 GMT 2023` Edited by `admin` on `Fri Dec 15 15:47:56 GMT 2023`
Record UNII	05V5NVB5Y1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLOPROPIONE

Official Name

English

EPHTANON

Brand Name

English

FLOPROPIONE [MART.]

Common Name

English

Flopropione [WHO-DD]

Common Name

English

FLOPROPIONE [JAN]

Common Name

English

NSC-97909

Code

English

flopropione [INN]

Common Name

English

FLOPROPIONE [MI]

Common Name

English

2',4',6'-TRIHYDROXYPROPIOPHENONE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29698