CETHEXONIUM CHLORIDE

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C24H50NO.Cl
Molecular Weight	404.113
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CETHEXONIUM CHLORIDE

Structure Search

SMILES

[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1O

InChI

InChIKey=LGIURICQUGJVAQ-UHFFFAOYSA-M

InChI=1S/C24H50NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25(2,3)23-20-17-18-21-24(23)26;/h23-24,26H,4-22H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C24H49NO
Molecular Weight	367.652
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2778003 | https://www.ncbi.nlm.nih.gov/pubmed/5757757 | https://www.ncbi.nlm.nih.gov/pubmed/139239

Cethexonium is a cyclohexanols derivative with antimicrobial activities.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Evaluation of a versatile reversed-phase high-performance liquid chromatographic system using cethexonium bromide as ion-pairing reagent for the analysis of glucuronic acid conjugates.	1989 Aug 25	2778003

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:27:56 GMT 2023` Edited by `admin` on `Fri Dec 15 16:27:56 GMT 2023`
Record UNII	4F44UQX9EV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETHEXONIUM CHLORIDE

Official Name

English

CYCLOHEXANAMINIUM, N-HEXADECYL-2-HYDROXY-N,N-DIMETHYL-, CHLORIDE (1:1)

Systematic Name

English

Cethexonium chloride [WHO-DD]

Common Name

English

cethexonium chloride [INN]

Common Name

English

Code System Code Type Description

CAS

58703-78-9

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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SMS_ID

100000081492

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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EVMPD

SUB07449MIG

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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INN

4076

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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FDA UNII

4F44UQX9EV

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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PUBCHEM

193964

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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ChEMBL

CHEMBL2110776

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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EPA CompTox

DTXSID70974229

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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NCI_THESAURUS

C166755

Created by admin on Fri Dec 15 16:27:56 GMT 2023 , Edited by admin on Fri Dec 15 16:27:56 GMT 2023

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