OCTIBENZONIUM BROMIDE

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 Search

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

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	C26H37NO3
Molecular Weight	411.5769
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:01:27 GMT 2025` Edited by `admin` on `Mon Mar 31 18:01:27 GMT 2025`
Record UNII	21K1P843E6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2-HYDROXYETHYL)DIMETHYLOCTYLAMMONIUM BROMIDE, BENZILATE ESTER

Preferred Name

English

OCTIBENZONIUM BROMIDE

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