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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H38NO3.Br
Molecular Weight 492.489
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTIBENZONIUM BROMIDE

SMILES

[Br-].CCCCCCCC[N+](C)(C)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=JVFBRWHIOQXBFW-UHFFFAOYSA-M
InChI=1S/C26H38NO3.BrH/c1-4-5-6-7-8-15-20-27(2,3)21-22-30-25(28)26(29,23-16-11-9-12-17-23)24-18-13-10-14-19-24;/h9-14,16-19,29H,4-8,15,20-22H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2-HYDROXYETHYL)DIMETHYLOCTYLAMMONIUM BROMIDE, BENZILATE ESTER
Preferred Name English
OCTIBENZONIUM BROMIDE
WHO-DD  
Common Name English
BENZILIC ACID, ESTER WITH (2-HYDROXYETHYL)DIMETHYLOCTYLAMMONIUM BROMIDE
Common Name English
Octibenzonium bromide [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
21K1P843E6
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-961-9
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY
PUBCHEM
121294
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY
SMS_ID
100000163719
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY
CAS
2019-14-9
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID80942252
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY
EVMPD
SUB178085
Created by admin on Mon Mar 31 18:01:27 GMT 2025 , Edited by admin on Mon Mar 31 18:01:27 GMT 2025
PRIMARY