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Olanexidine (hydrochloride)

CAT: 0804-HY-125654A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125654A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Olanexidine hydrochloride is a monobiguanide compound with bactericidal activity. Olanexidine probably binds to the cell membrane, destroys membrane integrity. Olanexidine hydrochloride is active against a wide range of bacteria, including Gram-positive and Gram-negative bacteria. Olanexidine exhibits the bactericidal concentration of 109 μg/mL for Gram-positive bacilli[1].
CAS Number
146509-94-6
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/olanexidine-hydrochloride.html
Purity
96.25
Solubility
DMSO : 62.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N=C(NC(NCCCCCCCC)=N)NCC1=CC=C(C(Cl)=C1)Cl.[H]Cl
Molecular Formula
C17H28Cl3N5
Molecular Weight
408.80
References & Citations
[1]Hagi A, et al. Bactericidal Effects and Mechanism of Action of Olanexidine Gluconate, a New Antiseptic. Antimicrob Agents Chemother. 2015 Aug;59 (8) :4551-9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Olanexidine hydrochloride anhydrous
CAS Number146509-94-6
PubChem CID6918362
IUPAC Name1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine;hydrochloride
Molecular FormulaC17H28Cl3N5
Molecular Weight408.8
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity400
SMILES
CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N.Cl
InChI
InChI=1S/C17H27Cl2N5.ClH/c1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13;/h8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24);1H
InChIKey
GVBQOBUYEOFFLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olanexidine hydrochloride anhydrous
CAS: 146509-94-6
CID: 6918362
Formula: C17H28Cl3N5
MW: 408.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass407.141029
Monoisotopic Mass407.141029
Topological Polar Surface Area88.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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