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

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	C20H26N4O2
Molecular Weight	354.446
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Molecular Formula	C2H6O4S
Molecular Weight	126.132
Charge	0
Count	MOL RATIO 2 MOL RATIO (average)

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

Description

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

Show entries

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
[Treatment of Acanthamoeba keratitis: possibilities, problems, and new approaches].	2003	15508774
Acanthamoeba keratitis during orthokeratology.	2005 Oct	16160506

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Patents

Substance Class	Chemical
Record UNII	023XA5Z50L
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

HEXAMIDINE DIISETHIONATE

Official Name

English

HEXAMIDINE ISETIONATE

Preferred Name

English

Hexamidine isetionate [WHO-DD]

Common Name

English

4,4'-(HEXAMETHYLENEDIOXY)DIBENZAMIDINE ISETHIONATE

Systematic Name

English

HEXAMIDINE DIISETIONATE [EP MONOGRAPH]

Common Name

English

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Code System

Code

Type

Description

MERCK INDEX

m6000

PRIMARY

Merck Index

MESH

C018961

PRIMARY

EPA CompTox

DTXSID60984372

PRIMARY

DAILYMED

023XA5Z50L

PRIMARY

ECHA (EC/EINECS)

211-533-5

PRIMARY

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Related Record

Type

Details


					97J3QN9884

Isethionic acid

PARENT -> SALT/SOLVATE


					3483C2H13H

HEXAMIDINE

PARENT -> SALT/SOLVATE

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Related Record

Type

Details


					3483C2H13H

HEXAMIDINE

ACTIVE MOIETY

Showing 1 to 1 of 1 entries

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