TREPIBUTONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22O6
Molecular Weight	310.3423
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=CC(OCC)=C(C=C1OCC)C(=O)CCC(O)=O

InChI

InChIKey=YPTFHLJNWSJXKG-UHFFFAOYSA-N

InChI=1S/C16H22O6/c1-4-20-13-10-15(22-6-3)14(21-5-2)9-11(13)12(17)7-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H22O6
Molecular Weight	310.3423
Charge	0
Count

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

Description
Sources: https://www.ohara-ch.co.jp/appendix/pdf/inc03/supacal40T-SIE.pdf
Curator's Comment: description was created based on several sources, including: http://www.kegg.jp/medicus-bin/japic_med?japic_code=00054798 http://www.ncbi.nlm.nih.gov/pubmed/864884

This medicine promotes secretion of the bile and pancreatic juice, and accelerates flaccidity of the smooth muscle in the gastrointestinal tract (sphincter of hepatopancreatic ampulla etc.) to lower internal pressure of the gallbladder and bile duct. It improves the symptoms of the bile duct and pancreatic disease. It is usually used for improvement of cramp and bile secretion associated with cholelithiasis, cholecystitis, cholangitis, dyskinesia of the biliary tract or postcholecystectomy syndrome, or pain and gastrointestinal symptoms associated with chronic pancreatitis. Side effects are nausea, constipation, abdominal bloating, diarrhea, rash, itch, etc.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Catechol O-methyltransferase 21 Target ID: CHEMBL2023 Sources: http://www.genome.jp/kegg-bin/show_pathway?map07216+D01365	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Cholelithiasis 14 Sources: https://www.ohara-ch.co.jp/appendix/pdf/inc03/supacal40T-SIE.pdf	Palliative	Approved 8429	SUPACAL Approved Use It is usually used for improvement of cramp and bile secretion associated with cholelithiasis
Cholecystitis 12 Sources: https://www.ohara-ch.co.jp/appendix/pdf/inc03/supacal40T-SIE.pdf	Palliative	Approved 8429	SUPACAL Approved Use It is usually used for improvement of cramp and bile secretion associated with cholecystitis
Cholangitis 4 Sources: https://www.ohara-ch.co.jp/appendix/pdf/inc03/supacal40T-SIE.pdf	Palliative	Approved 8429	SUPACAL Approved Use It is usually used for improvement of cramp and bile secretion associated with cholangitis
Post-cholecystectomy syndrome 2 Sources: https://www.ohara-ch.co.jp/appendix/pdf/inc03/supacal40T-SIE.pdf	Palliative	Approved 8429	SUPACAL Approved Use It is usually used for improvement of cramp and bile secretion associated with postcholecystectomy syndrome

PubMed

Title	Date	PubMed
Studies on increased bile formation produced by polyoxybenzenes in rats.	1977 Feb	864884
Biliary spasmolytic action of 3-(2,4,5-triethoxybenzoyl)propionic acid (AA-149) in dogs.	1978 Apr 1	639858
A possible mechanism of choleretic action of 3-(2,4,5-triethoxybenzoyl)-propionic acid (AA-149) in dogs.	1978 Mar 1	639840

Patents

Sample Use Guides

In Vivo Use Guide

1 tablet (40 mg of the active ingredient) 3 times daily, immediately after meal.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:26:39 GMT 2023` Edited by `admin` on `Fri Dec 15 16:26:39 GMT 2023`
Record UNII	H1187LU49Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TREPIBUTONE

Official Name

English

Trepibutone [WHO-DD]

Common Name

English

TREPIBUTONE [MI]

Common Name

English

trepibutone [INN]

Common Name

English

3-(2',4',5'-TRIETHOXYBENZOYL)PROPIONIC ACID

Systematic Name

English

TREPIBUTONE [JAN]

Common Name

English

TREPIBUTONE [MART.]

Common Name

English

SUPACAL

Brand Name

English

Classification Tree Code System Code

WHO-VATC

QA03AX09