Atropine octabromide

(8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide

CAS: 5843-82-3

Molecular Formula	`C25H40BrNO3`
Molecular Weight	482.5 g/mol
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	12
Exact Mass	481.21915
Heavy Atoms	30
Complexity	488.0

Chemical Identifiers

CAS Number	5843-82-3
SMILES	`CCCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]`
InChIKey	`DLZGOGBFEPLEJA-UHFFFAOYSA-M`

📖 Product Overview

Atropine octabromide (CAS: 5843-82-3) is a chemical compound with molecular formula C25H40BrNO3 and molecular weight 482.5 g/mol. Its IUPAC systematic name is (8-methyl-8-octyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate bromide. Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 12 Exact Mass 481.21915 Heavy Atoms 30 Complexity 488.0 InChI Key: DLZGOGBFEPLEJA-UHFFFAOYSA-M. SMILES: CCCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-].

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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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📚 Academic Support

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