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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
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
In the aftermath of the Fusarium keratitis outbreak: What have we learned?
2007 Dec
Amoebicidal activities of alexidine against 3 pathogenic strains of acanthamoeba.
2009 Jan
Patents

Patents

Name Type Language
ALEXIDINE DIHYDROCHLORIDE
Common Name English
2,4,11,13-TETRAAZATETRADECANEDIIMIDAMIDE, N1,N14-BIS(2-ETHYLHEXYL)-3,12-DIIMINO-, HYDROCHLORIDE (1:2)
Systematic Name English
ALEXIDINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
I2A7616PY1
Created by admin on Fri Dec 15 17:12:51 GMT 2023 , Edited by admin on Fri Dec 15 17:12:51 GMT 2023
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PUBCHEM
102678
Created by admin on Fri Dec 15 17:12:51 GMT 2023 , Edited by admin on Fri Dec 15 17:12:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID5045881
Created by admin on Fri Dec 15 17:12:51 GMT 2023 , Edited by admin on Fri Dec 15 17:12:51 GMT 2023
PRIMARY
CAS
1715-30-6
Created by admin on Fri Dec 15 17:12:51 GMT 2023 , Edited by admin on Fri Dec 15 17:12:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-994-6
Created by admin on Fri Dec 15 17:12:51 GMT 2023 , Edited by admin on Fri Dec 15 17:12:51 GMT 2023
PRIMARY