U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C19H30NO2.HO4S
Molecular Weight 401.518
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAPIPERIUM HYDROGEN SULFATE

SMILES

OS([O-])(=O)=O.CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)C2=CC=CC=C2

InChI

InChIKey=BWGIFBYVAZDWGB-UHFFFAOYSA-M
InChI=1S/C19H30NO2.H2O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula HO4S
Molecular Weight 97.071
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C19H30NO2
Molecular Weight 304.447
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

PENTAPIPERIUM is a synthetic quaternary ammonium anticholinergic and the antisecretory agent used especially in the treatment of peptic ulcer.

Approval Year

1969
24
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8583
Quilene

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
ABI Chem
AC1L1DBV
BOC Sciences
7681-80-3
Compound Cloud
27490
Compound Cloud
71367
eMolecules
10231211
eMolecules
10750461
eMolecules
49423739
mcule
MCULE-8896614396
https://mcule.com/MCULE-8896614396/
Sigma Aldrich
S422452
Sigma Aldrich
S578630
Sigma Aldrich
S578630|ALDRICH
Sigma Aldrich
S631795
Sigma Aldrich
S631795|ALDRICH
Tetrahedron
TS69743
TimTec
ST51253712
TimTec
ST51255401
ZINC
ZINC000000000595
http://zinc15.docking.org/substances/ZINC000000000595
ZINC
ZINC000000394464
http://zinc15.docking.org/substances/ZINC000000394464
ZINC
ZINC000000394465
http://zinc15.docking.org/substances/ZINC000000394465
ZINC
ZINC000000394466
http://zinc15.docking.org/substances/ZINC000000394466
PubMed

PubMed

TitleDatePubMed
Pharmacology of an antispasmodic agent pentapiperide methylsulfate.
1970-04
Pentapiperide methylsulfate (Quilene)--another anticholinergic for peptic ulcer.
1970-01-09
Clinical appraisal of pentapiperide methylsulfate a new anticholinergic drug.
1963-01
Patents

Patents

20070292375
4
20110044923
4
7851633
4
8633225
4
WO2007141289A1
4
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:22:35 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:35 GMT 2025
Record UNII
LPS8X8CJ4E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, SULFATE (1:1)
Preferred Name English
PENTAPIPERIUM HYDROGEN SULFATE
Common Name English
Code System Code Type Description
CAS
15803-80-2
Created by admin on Mon Mar 31 19:22:35 GMT 2025 , Edited by admin on Mon Mar 31 19:22:35 GMT 2025
PRIMARY
FDA UNII
LPS8X8CJ4E
Created by admin on Mon Mar 31 19:22:35 GMT 2025 , Edited by admin on Mon Mar 31 19:22:35 GMT 2025
PRIMARY
PUBCHEM
27489
Created by admin on Mon Mar 31 19:22:35 GMT 2025 , Edited by admin on Mon Mar 31 19:22:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID00935848
Created by admin on Mon Mar 31 19:22:35 GMT 2025 , Edited by admin on Mon Mar 31 19:22:35 GMT 2025
PRIMARY
Related Record Type Details
Structure of PENTAPIPERIUM
ACTIVE MOIETY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966