HEXAMIDINE DIISETHIONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H26N4O2.2C2H6O4S
Molecular Weight	606.709
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1

InChI

InChIKey=NBVZMBLJRHUOJR-UHFFFAOYSA-N

InChI=1S/C20H26N4O2.2C2H6O4S/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*3-1-2-7(4,5)6/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*3H,1-2H2,(H,4,5,6)

HIDE SMILES / InChI

Molecular Formula	C2H6O4S
Molecular Weight	126.132
Charge	0
Count

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

Molecular Formula	C20H26N4O2
Molecular Weight	354.446
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28129440 | https://www.ncbi.nlm.nih.gov/pubmed/26235920

Hexamidine diisethionate has been used in the personal care industry and in a number of over-the-counter (OTC) drug products as an antimicrobial agent. It was shown, that hexamidine diisethionate plays a beneficial role in skin homoeostasis.

Approval Year

PubMed

Title	Date	PubMed
Analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine) in the treatment of experimental Pneumocystis carinii pneumonia.	1990 Apr	2319567
Structure-activity relationships of analogs of pentamidine against Plasmodium falciparum and Leishmania mexicana amazonensis.	1990 Jul	2201254
1,5-Bis(4-amidinophenoxy)pentane (pentamidine) is a potent inhibitor of [3H]idazoxan binding to imidazoline I2 binding sites.	1998 Jul 17	9721046
Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase.	2001 Apr 26	11311057
Persistently culture positive acanthamoeba keratitis: in vivo resistance and in vitro sensitivity.	2003 Aug	12917179
Crystal structures of QacR-diamidine complexes reveal additional multidrug-binding modes and a novel mechanism of drug charge neutralization.	2004 Apr 2	14726520
Acanthamoeba keratitis during orthokeratology.	2005 Oct	16160506
Acanthamoeba keratitis in a 5-year-old boy without a history of contact lens usage.	2006 Apr	16633040
[Towards new antibacterial drugs. Interest of para-guanidinoethylcalix[4]arene].	2006 Oct-Nov	17023121
Final report on the safety assessment of Hexamidine and Hexamidine Diisethionate.	2007	18273451
In vitro activity of para-guanidinoethylcalix[4]arene against susceptible and antibiotic-resistant Gram-negative and Gram-positive bacteria.	2007 Sep	17626025
Antistaphylococcal activities of CG400549, a new bacterial enoyl-acyl carrier protein reductase (FabI) inhibitor.	2007 Sep	17606482
Bilateral acanthamoeba keratitis.	2008 Feb	18222188
Rapidly progressive cataract and iris atrophy during treatment of Acanthamoeba keratitis.	2008 May	18452764
Painless Acanthamoeba keratitis in a soft contact lens wearer--case report.	2009 Sep	19860131
[Effect of psychotropic drugs on activity of anticonvulsants in maximal electroshock test].	2010 Aug	20919549
Action potential-enhanced ATP release from taste cells through hemichannels.	2010 Aug	20519578
Antiseptic properties of two calix[4]arenes derivatives on the human coronavirus 229E.	2010 Dec	20854844
[Acanthamoeba keratitis. Report of 3 cases diagnosed in central Tunisia].	2010 Feb	20415171
Treatment with voriconazole in 3 eyes with resistant Acanthamoeba keratitis.	2010 Jan	19875089

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:49:15 UTC 2023` Edited by `admin` on `Fri Dec 15 17:49:15 UTC 2023`
Record UNII	023XA5Z50L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXAMIDINE DIISETHIONATE

Official Name

English

Hexamidine isetionate [WHO-DD]

Common Name

English

HEXAMIDINE ISETIONATE

Common Name

English

4,4'-(HEXAMETHYLENEDIOXY)DIBENZAMIDINE ISETHIONATE

Systematic Name

English

HEXAMIDINE DIISETIONATE [EP MONOGRAPH]

Common Name

English

HEXAMIDINE DIISETIONATE

Common Name

English

HEXAMIDINE ISETIONATE [MART.]

Common Name

English

HEXAMIDINE DIISETHIONATE [INCI]

Common Name

English

HEXAMIDINE ISETHIONATE

Common Name

English

HEXOMEDIN

Brand Name

English

HEXAMIDINE ISETHIONATE [MI]

Common Name

English

RF-2535

Code

English

HEXAMIDINE DIISETIONATE [EP IMPURITY]

Common Name

English

NSC-115848

Code

English

4,4'-(HEXAMETHYLENEDIOXY)DIBENZAMIDINE BIS(2-HYDROXYETHANESULPHONATE)

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m6000