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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28NO3.Br
Molecular Weight 434.367
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZILONIUM BROMIDE, (R)-

SMILES

[Br-].CC[N+]1(CC)CC[C@H](C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=GGMMWVHTLAENAS-VEIFNGETSA-M
InChI=1S/C22H28NO3.BrH/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,20,25H,3-4,15-17H2,1-2H3;1H/q+1;/p-1/t20-;/m1./s1

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 C22H27NO3
Molecular Weight 353.4547
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:26:15 GMT 2025
Edited
by admin
on Mon Mar 31 18:26:15 GMT 2025
Record UNII
BF7ARZ6V64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRROLIDINIUM, 1,1-DIETHYL-3-((2-HYDROXY-2,2-DIPHENYLACETYL)OXY)-, BROMIDE (1:1), (R)-
Preferred Name English
BENZILONIUM BROMIDE, (R)-
Common Name English
Code System Code Type Description
PUBCHEM
76961773
Created by admin on Mon Mar 31 18:26:15 GMT 2025 , Edited by admin on Mon Mar 31 18:26:15 GMT 2025
PRIMARY
FDA UNII
BF7ARZ6V64
Created by admin on Mon Mar 31 18:26:15 GMT 2025 , Edited by admin on Mon Mar 31 18:26:15 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER