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Hexamidine

CAT: 0804-HY-136081Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-136081Size:1 Each
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Description
Hexamidine has amoebicidal effect that can be used for the research of Acanthamoeba keratitis[1].
CAS Number
3811-75-4
UNSPSC
12352005
Hazard Statement
H302-H312-H332
Target
Parasite
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
N=C(C1=CC=C(OCCCCCCOC2=CC=C(C(N)=N)C=C2)C=C1)N
Molecular Formula
C20H26N4O2
Molecular Weight
354.45
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501
References & Citations
[1]Perrine D, et al. Amoebicidal efficiencies of various diamidines against two strains of Acanthamoeba polyphaga. Antimicrob Agents Chemother. 1995 Feb;39 (2) :339-42.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hexamidine

Hexamidine is a polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. It has a role as an antimicrobial agent and an antiseptic drug. It is a member of guanidines, an aromatic ether and a polyether. It is functionally related to a hexane-1,6-diol.

CAS Number3811-75-4
PubChem CID65130
IUPAC Name4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide
Molecular FormulaC20H26N4O2
Molecular Weight354.4
XLogP2.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity388
SMILES
C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C20H26N4O2/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/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
InChIKey
OQLKNTOKMBVBKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexamidine
CAS: 3811-75-4
CID: 65130
Formula: C20H26N4O2
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass354.20557608
Monoisotopic Mass354.20557608
Topological Polar Surface Area118 Ų
Heavy Atom Count26
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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