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Polyquaternium-1

CAT: 1410-M27304-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M27304-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Polyquaternium-1 exerts strong bacteriostasis and little eye irritation and can be used as a polycationic ophthalmic preservative.
CAS Number
75345-27-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
810.21
Molecular Formula
C22H51Cl3N3O6
Notes
Research use only, not for human use.
Receptor
Microtubule/Tubulin

Chemical Information

Polyquaternium 1

Polidronium chloride is a quaternary ammonium salt.

CAS Number75345-27-6
PubChem CID5282453
IUPAC Namedimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium trichloride
Molecular FormulaC22H48Cl3N3O6
Molecular Weight557.0
Topological Polar Surface Area121
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count34
Formal Charge0
Complexity424
SMILES
C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C.[Cl-].[Cl-].[Cl-]
InChI
InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;
InChIKey
OTIWYSKRSMXGNK-VHJGTCNUSA-K
Chemical Structure
2D Structure
2D structure of Polyquaternium 1
CAS: 75345-27-6
CID: 5282453
Formula: C22H48Cl3N3O6
MW: 557.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.0
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass555.260869
Monoisotopic Mass555.260869
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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