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Decamethonium iodide

CAT: 0931-T21099-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21099-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1420-40-2
Target
Others
Related Pathways
Others
Bioactivity
Decamethonium is a neuromuscular blocking agent or depolarizing muscle relaxant, and is used in anesthesia to induce paralysis.
Smiles
C[N+](C)(CCCCCCCCCC[N+](C)(C)C)C.[I-].[I-]
Molecular Formula
C16H38I2N2
Molecular Weight
512.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Decamethonium iodide
CAS Number1420-40-2
PubChem CID74014
IUPAC Nametrimethyl-[10-(trimethylazaniumyl)decyl]azanium diiodide
Molecular FormulaC16H38I2N2
Molecular Weight512.30
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity164
SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
InChI
InChI=1S/C16H38N2.2HI/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
ARMLJSXXXFXSLQ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Decamethonium iodide
CAS: 1420-40-2
CID: 74014
Formula: C16H38I2N2
MW: 512.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass512.11244
Monoisotopic Mass512.11244
Topological Polar Surface Area0 Ų
Heavy Atom Count20
Formal Charge0
Complexity164
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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