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Octenidine

CAT: 0931-T63894-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T63894-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71251-02-0
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Octenidine is an effective antibacterial agent that inhibits biofilm gene expression, disrupts biofilm formation and is able to inhibit multi-resistant Gram-negative pathogens.
Smiles
C(CCCCCCCCCN1C=CC(=NCCCCCCCC)C=C1)N2C=CC(=NCCCCCCCC)C=C2
Molecular Formula
C36H62N4
Molecular Weight
550.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Octenidine

Octenidine is a dihydropyridine.

CAS Number71251-02-0
PubChem CID51167
IUPAC NameN-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]pyridin-4-imine
Molecular FormulaC36H62N4
Molecular Weight550.9
XLogP11
Topological Polar Surface Area31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count25
Heavy Atom Count40
Formal Charge0
Complexity691
SMILES
CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2
InChI
InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3
InChIKey
ZVXNYZWXUADSRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octenidine
CAS: 71251-02-0
CID: 51167
Formula: C36H62N4
MW: 550.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.9
XLogP311
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count25
Exact Mass550.49744799
Monoisotopic Mass550.49744799
Topological Polar Surface Area31.2 Ų
Heavy Atom Count40
Formal Charge0
Complexity691
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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MBS3605712-01Octenidine
GP2536-10gOctenidine dihydrochloride
C6432-200Octenidine (dihydrochloride)
GTR19211478-01Octenidine saccharin
HY-B2170BOctenidine (saccharin)

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