PIPENZOLATE

First approved in 1955

Details

Stereochemistry	MIXED
Molecular Formula	C22H28NO3
Molecular Weight	354.4626
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CC[N+]1(C)CCCC(C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=WPUKUEMZZRVAKZ-UHFFFAOYSA-N

InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula	C22H27NO3
Molecular Weight	353.4547
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13192610 | https://www.ncbi.nlm.nih.gov/pubmed/14349937

Pipenzolate bromide (JB-323), an anticholinergic agent, which binds to muscarinic acetylcholine receptors as an antagonist. Pipenzolate bromide was studied as an antispasmodic agent, and to treat peptic ulcer.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Muscarinic acetylcholine receptor 160 Target ID: CHEMBL2094109 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14349937	Antagonist 2778

Conditions

Condition	Modality	Targets	Highest Phase	Product
Spasms 4 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13192610	Primary		Not Provided 504	Unknown Approved Use Unknown
Peptic ulcer 72 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14349937	Palliative		Approved 8429	SINSPASMON Approved Use Effective in the treatment of peptic ulcer and coadjuvant in irritable bowel syndrome, spastic colon, mucosal colitis, acute enterocolitis, colic, pylorus spasm, regurgitation and other functional disorders of the gastrointestinal tract.

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
			inducer 23

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 1647	inducer 27 Sources: https://escholarship.mcgill.ca/downloads/5t34sp74k?locale=en

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P000NFY
ABI Chem	AC1L1J1Z
AK Scientific	2658AH
AbovChem LLC	AC139001
AbovChem LLC	HY-B0953
BOC Sciences	125-51-9
BOC Sciences	13473-38-6
Chem Scene	CS-4429	http://www.chemscene.com/Pipenzolate.html
Chemieliva Pharmaceutical Co., Ltd	PBCM0226955
Compound Cloud	4832
Compound Cloud	657306
Innovapharm	BBV-00090957
MedChem Express	HY-B0953	http://www.medchemexpress.com/Pipenzolate.html
MolPort	MolPort-003-666-432
MuseChem	I001340	https://www.musechem.com/product/I001340.html
NCI Plated 2007	4347
NovoSeek	4832
Tetrahedron	TS82044
Toronto Research Chemicals	P479853
Toronto Research Chemicals	P479858
ZINC	ZINC000000601314	http://zinc15.docking.org/substances/ZINC000000601314
ZINC	ZINC000003813082	http://zinc15.docking.org/substances/ZINC000003813082
ZINC	ZINC000253387946	http://zinc15.docking.org/substances/ZINC000253387946
ZINC	ZINC000253387947	http://zinc15.docking.org/substances/ZINC000253387947
ZINC	ZINC000253387948	http://zinc15.docking.org/substances/ZINC000253387948
eMolecules	300058001
mcule	MCULE-1461742477
mcule	MCULE-9106156730

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

for dog: orally active antispasmodic agent with an atropine-like action

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:13:36 GMT 2023` Edited by `admin` on `Fri Dec 15 19:13:36 GMT 2023`
Record UNII	RS3K5YXV34
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PIPENZOLATE

Common Name

English

1-ETHYL-3-HYDROXY-1-METHYLPIPERIDINIUM BENZILATE

Systematic Name

English

PIPENZOLATE CATION

Common Name

English

PIPENZOLATE ION

Common Name

English

Pipenzolate [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-ATC

A03CA09