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Pentamethonium iodide

CAT: 0013-GTR19242352-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242352-02Size:10 mg
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Description
Pentamethonium is a bis-quaternary ammonium compound and a classical ganglionic blocking agent. It has been utilized in pharmacological research to study autonomic nervous system function and was historically investigated as a potential antihypertensive agent in both in vitro and in vivo experimental models.
CAS Number
5282-80-4
Smiles
C[N+] (C) (CCCCC[N+] (C) (C) C) C.[I-].[I-]
Molecular Formula
C11H28I2N2
Molecular Weight
442.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pentamethonium diiodide
CAS Number5282-80-4
PubChem CID21353
IUPAC Nametrimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
Molecular FormulaC11H28I2N2
Molecular Weight442.16
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity112
SMILES
C[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-]
InChI
InChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
SRFSMBZBBSVMKO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Pentamethonium diiodide
CAS: 5282-80-4
CID: 21353
Formula: C11H28I2N2
MW: 442.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass442.03419
Monoisotopic Mass442.03419
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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