CETHEXONIUM

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NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C24H50NO
Molecular Weight	368.6599
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of CETHEXONIUM

Structure Search

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C1CCCCC1O

InChI

InChIKey=YPQVDFLBDPTGLB-UHFFFAOYSA-N

InChI=1S/C24H50NO/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/q+1

HIDE SMILES / InChI

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 18:32:23 GMT 2023` Edited by `admin` on `Fri Dec 15 18:32:23 GMT 2023`
Record UNII	1V984I1L1M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETHEXONIUM

Common Name

English

CETHEXONIUM CATION

Common Name

English

CYCLOHEXANAMINIUM, N-HEXADECYL-2-HYDROXY-N,N-DIMETHYL-

Systematic Name

English

Cethexonium [WHO-DD]

Common Name

English

CETHEXONIUM ION

Common Name

English

Code System Code Type Description

PUBCHEM

110926

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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DRUG CENTRAL

3080

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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FDA UNII

1V984I1L1M

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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SMS_ID

100000084704

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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MESH

C013871

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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CAS

6810-42-0

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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ECHA (EC/EINECS)

229-885-3

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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EVMPD

SUB01165MIG

Created by admin on Fri Dec 15 18:32:23 GMT 2023 , Edited by admin on Fri Dec 15 18:32:23 GMT 2023

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					1V984I1L1M

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