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Details

Stereochemistry MIXED
Molecular Formula C19H30NO2.Br
Molecular Weight 384.351
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM BROMIDE 3-METHYL-2-PHENYLVALERATE

SMILES

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

InChI

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

HIDE SMILES / InChI
Molecular Formula BrH
Molecular Weight 80.912
Charge 0
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 / 2
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
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 Sat Dec 16 05:44:24 GMT 2023
Edited
by admin
on Sat Dec 16 05:44:24 GMT 2023
Record UNII
BS4I581DAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM BROMIDE 3-METHYL-2-PHENYLVALERATE
Systematic Name English
4-HYDROXY-1,1-DIMETHYL PIPERIDINIUM BROMIDE,3-METHYL-2-PHENYL VALERATE
Common Name English
PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE
Systematic Name English
4-HYDROXY-1,1-DIMETHYLPIPERIDINIUM BROMIDE, 3-METHYL-2-PHENYLVALERATE
Systematic Name English
PIPERIDINIUM, 1,1-DIMETHYL-4-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10905395
Created by admin on Sat Dec 16 05:44:24 GMT 2023 , Edited by admin on Sat Dec 16 05:44:24 GMT 2023
PRIMARY
PUBCHEM
3063272
Created by admin on Sat Dec 16 05:44:24 GMT 2023 , Edited by admin on Sat Dec 16 05:44:24 GMT 2023
PRIMARY
FDA UNII
BS4I581DAQ
Created by admin on Sat Dec 16 05:44:24 GMT 2023 , Edited by admin on Sat Dec 16 05:44:24 GMT 2023
PRIMARY
CAS
100337-30-2
Created by admin on Sat Dec 16 05:44:24 GMT 2023 , Edited by admin on Sat Dec 16 05:44:24 GMT 2023
PRIMARY
NIH
NCATS
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