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Details

Stereochemistry MIXED
Molecular Formula C19H30NO2.CH3O4S
Molecular Weight 415.544
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAPIPERIUM METHYLSULFATE

SMILES

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

InChI

InChIKey=YGURFDXYQNOJCS-UHFFFAOYSA-M
InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula C19H30NO2
Molecular Weight 304.447
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
8429
Quilene

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
ABI Chem
AC1L1DBV
BOC Sciences
7681-80-3
Compound Cloud
27490
Compound Cloud
71367
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
eMolecules
10231211
eMolecules
10750461
eMolecules
49423739
mcule
MCULE-8896614396
https://mcule.com/MCULE-8896614396/
PubMed

PubMed

TitleDatePubMed
Patents

Patents

20070292375
4
20110044923
4
7851633
4
8633225
4
WO2007141289A1
4
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:54:00 GMT 2023
Edited
by admin
on Fri Dec 15 17:54:00 GMT 2023
Record UNII
Y8B7PF4062
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAPIPERIUM METHYLSULFATE
USAN  
USAN  
Official Name English
pentapiperium metilsulfate [INN]
Common Name English
PENTAPIPERIUM METHYLSULFATE [USAN]
Common Name English
PENTAPIPERIUM METILSULFATE [MART.]
Common Name English
4-Hydroxy-1,1-dimethylpiperidinium methyl sulfate 3-methyl-2-phenylvalerate
Systematic Name English
PENTAPIPERIDE METHYLSULFATE
Common Name English
PENTAPIPERIDE METHYLSULPHATE
Common Name English
PENTAPIPERIDE METHOSULFATE [MI]
Common Name English
Pentapiperium metilsulfate [WHO-DD]
Common Name English
PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, METHYL SULFATE
Common Name English
PENTAPIPERIUM METILSULFATE
INN   MART.   WHO-DD  
INN  
Official Name English
PENTAPIPERIDE METILSULFATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80998133
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
NCI_THESAURUS
C174948
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
SMS_ID
100000082490
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
FDA UNII
Y8B7PF4062
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
MERCK INDEX
m390
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY Merck Index
INN
3097
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
DRUG CENTRAL
5073
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-678-8
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111014
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
CAS
7681-80-3
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
EVMPD
SUB09686MIG
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
PUBCHEM
71367
Created by admin on Fri Dec 15 17:54:00 GMT 2023 , Edited by admin on Fri Dec 15 17:54:00 GMT 2023
PRIMARY
Related Record Type Details
Structure of PENTAPIPERIUM
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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