Anethocurarium diiodide

trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium diiodide

CAS: 3571-45-7

Molecular Formula	`C27H44I2N2O2`
Molecular Weight	682.5 g/mol
Topological Polar Surface Area	18.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	12
Exact Mass	682.14923
Heavy Atoms	33
Complexity	478.0

Chemical Identifiers

CAS Number	3571-45-7
SMILES	`CC(C)C(CC1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OCC[N+](C)(C)C.[I-].[I-]`
InChIKey	`COQKIDBDEICDLB-UHFFFAOYSA-L`

📖 Product Overview

Anethocurarium diiodide (CAS: 3571-45-7) is a chemical compound with molecular formula C27H44I2N2O2 and molecular weight 682.5 g/mol. Its IUPAC systematic name is trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium diiodide. Topological Polar Surface Area 18.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 12 Exact Mass 682.14923 Heavy Atoms 33 Complexity 478.0 InChI Key: COQKIDBDEICDLB-UHFFFAOYSA-L. SMILES: CC(C)C(CC1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OCC[N+](C)(C)C.[I-].[I-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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