DEDITONIUM BROMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C38H66N2O2.2Br
Molecular Weight	742.751
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].[Br-].CC(C)C1=C(OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC2=C(C=CC(C)=C2)C(C)C)C=C(C)C=C1

InChI

InChIKey=KRJLZXUYKFHTSN-UHFFFAOYSA-L

InChI=1S/C38H66N2O2.2BrH/c1-31(2)35-21-19-33(5)29-37(35)41-27-25-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)26-28-42-38-30-34(6)20-22-36(38)32(3)4;;/h19-22,29-32H,11-18,23-28H2,1-10H3;2*1H/q+2;;/p-2

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	C38H66N2O2
Molecular Weight	582.9428
Charge	2
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4959375

Deditonium is an antibacterial compound developed by the French company Centre de Recherches des Laboratoires Diamant. Deditonium is a quaternary ammonium derivative and has a bacteriostatic action at concentrations ranging from 1x10-6 to 5x10-4 M. Gram-positive cocci were found to be the most sensitive as well as many enterobacteria.

Approval Year

PubMed

Title	Date	PubMed
[A new antimicrobial agent: deditonium dibromide].	1966	4959375

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:18:40 GMT 2023` Edited by `admin` on `Fri Dec 15 16:18:40 GMT 2023`
Record UNII	6BCE7KY501
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEDITONIUM BROMIDE

Official Name

English

DECAMETHYLENEBIS(DIMETHYL(2-(THYMYLOXY)ETHYL)AMMONIUM BROMIDE)

Common Name

English

deditonium bromide [INN]

Common Name

English

249-16

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C28394