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

Details

Stereochemistry MIXED
Molecular Formula C20H30NO3.Br
Molecular Weight 412.361
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXOPYRRONIUM BROMIDE

SMILES

[Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCCC2)C3=CC=CC=C3

InChI

InChIKey=YEVVXURMULIHJU-UHFFFAOYSA-M
InChI=1S/C20H30NO3.BrH/c1-21(2)14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3,5-6,9-10,17-18,23H,4,7-8,11-15H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C20H29NO3
Molecular Weight 331.4492
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Hexopyrronium is an antihistaminic agent. Its gastric antisecretory action was studied in human. Information about the current use of this drug is not available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:20 GMT 2023
Edited
by admin
on Fri Dec 15 14:59:20 GMT 2023
Record UNII
AP73B5SGYV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXOPYRRONIUM BROMIDE
INN  
INN  
Official Name English
1,1-DIMETHYL-3-HYDROXY-PYRROLIDINIUM BROMIDE .ALPHA.-PHENYL-CYCLOHEXANEGLYCOLATE
Systematic Name English
hexopyrronium bromide [INN]
Common Name English
HEXOPYRROLATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C83757
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
INN
1280
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
CAS
3734-12-1
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
SMS_ID
100000083981
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
EVMPD
SUB08042MIG
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID40958450
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
FDA UNII
AP73B5SGYV
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
PUBCHEM
19512
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110685
Created by admin on Fri Dec 15 14:59:20 GMT 2023 , Edited by admin on Fri Dec 15 14:59:20 GMT 2023
PRIMARY
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