Basic information
- CAS
22573-93-9- Standard SMILES
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC- InChIKey
LFVVNPBBFUSSHL-UHFFFAOYSA-N- Molecular formula
- C26H56N10
- Average molar mass
- 508.8 g/mol
- Monoisotopic mass
- 508.46894183
Overview
Alexidine is an amphipathic bisbiguanide with a structure consisting of two (2-ethylhexyl)guanide units linked by a hexamethylene bridge. It has a role as an antibacterial agent.
Names & identifiers
- Preferred name
- Alexidine
- IUPAC
- 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine
Names & synonyms
alexidine22573-93-9BisguadineAlexidinaAlexidinumCompound 904Sterwin 904Win 21,9041,1'-Hexamethylenebis(5-(2-ethylhexyl)biguanide)DTXSID4048482CHEBI:53661WIN-21904
Show more names
GVN71CAL3G1,1'-Hexamethylenebis-(5-(ethylhexyl)biguanide)N,N''''-hexane-1,6-diylbis(N'-(2-ethylhexyl)(imidodicarbonimidic diamide))N,N''''-hexane-1,6-diylbis[N'-(2-ethylhexyl)(imidodicarbonimidic diamide)]RefChem:553948DTXCID0028456245-096-7Bisguanidine
Database identifiers
- CAS
22573-93-9- PubChem CID
- 2090
- DTXSID
DTXSID4048482- ChEMBL
CHEMBL1195210- ChEBI
CHEBI:53661- EC Number
- 245-096-7
- Nikkaji
- J11.492H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 601
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
DrugsPharmaceuticals -> Antibiotics
Physical DescriptionAvailable as alexidine dihydrochloride, a solid; [MSDSonline]
Collision Cross Section237.98 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAlexidine dihydrochloride is a skin and eye irritant; Toxic by ingestion; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
Uses
Used as an antimicrobial agent; [Merck Index] Used for skin and mucous membrane disinfection; [Reference #1]
Using Disinfectants or Biocides [Category: Clean]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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