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Details

Stereochemistry MIXED
Molecular Formula C26H56N10.2ClH
Molecular Weight 581.712
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALEXIDINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC

InChI

InChIKey=BRJJFBHTDVWTCJ-UHFFFAOYSA-N
InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H

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 C26H56N10
Molecular Weight 508.7898
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Alexidine dihydrochloride, an antibacterial compound, which is used during endodontic procedures. It is a dibiguanide ahent and is effective inhibitor of protein tyrosine phosphatases localized to mitochondrion 1 (PTPMT1). It was noted that PTPMT1 could serve as a pharmacological target in the treatment of type II diabetes. Alexidine dihydrochloride is also an apoptosis-promoting agent possessing the anticancer properties.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.08 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Extracellular Paracoccidioides brasiliensis phospholipase B involvement in alveolar macrophage interaction.
2010-09-15
Cell-based and cytokine-directed chemical screen to identify potential anti-multiple myeloma agents.
2010-07
Pharmacological targeting of the mitochondrial phosphatase PTPMT1.
2010-05
Amoebicidal activities of alexidine against 3 pathogenic strains of acanthamoeba.
2009-01
Alexidine and chlorhexidine bind to lipopolysaccharide and lipoteichoic acid and prevent cell activation by antibiotics.
2008-10
Fusarium keratitis and contact lens wear: facts and speculations.
2008-08
Effects of multipurpose solutions on corneal epithelial tight junctions.
2008-01
In the aftermath of the Fusarium keratitis outbreak: What have we learned?
2007-12
Biocide uptake in contact lenses and loss of fungicidal activity during storage of contact lenses.
2006-12
Potential use of alexidine dihydrochloride as an apoptosis-promoting anticancer agent.
2006-09
Pharmacologic reductions of total tau levels; implications for the role of microtubule dynamics in regulating tau expression.
2006-07-26
Cationic antiseptics: diversity of action under a common epithet.
2005
Contamination levels of in-use disinfectants in a teaching hospital in Lagos, Nigeria.
2002-06
Lotions and lubricants.
2001-03
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:42:12 GMT 2025
Edited
by admin
on Mon Mar 31 18:42:12 GMT 2025
Record UNII
I2A7616PY1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALEXIDINE HYDROCHLORIDE
Preferred Name English
ALEXIDINE DIHYDROCHLORIDE
Common Name English
2,4,11,13-TETRAAZATETRADECANEDIIMIDAMIDE, N1,N14-BIS(2-ETHYLHEXYL)-3,12-DIIMINO-, HYDROCHLORIDE (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
I2A7616PY1
Created by admin on Mon Mar 31 18:42:12 GMT 2025 , Edited by admin on Mon Mar 31 18:42:12 GMT 2025
PRIMARY
PUBCHEM
102678
Created by admin on Mon Mar 31 18:42:12 GMT 2025 , Edited by admin on Mon Mar 31 18:42:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID5045881
Created by admin on Mon Mar 31 18:42:12 GMT 2025 , Edited by admin on Mon Mar 31 18:42:12 GMT 2025
PRIMARY
CAS
1715-30-6
Created by admin on Mon Mar 31 18:42:12 GMT 2025 , Edited by admin on Mon Mar 31 18:42:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-994-6
Created by admin on Mon Mar 31 18:42:12 GMT 2025 , Edited by admin on Mon Mar 31 18:42:12 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY