Diisopropylphosphostigmine structure

Diisopropylphosphostigmine

[3-di(propan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate

CAS: 77967-15-8
Molecular Formula C16H30NO8PS
Molecular Weight 427.5 g/mol
Topological Polar Surface Area 120.0 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 427.14297
Heavy Atoms 27
Complexity 442.0

Chemical Identifiers

CAS Number 77967-15-8
SMILES CC(C)OP(=O)(OC1=CC=CC(=C1)[N+](C)(C)C)OC(C)C.COS(=O)(=O)[O-]
InChIKey OOIWSIHAMHVGIP-UHFFFAOYSA-M

📖 Product Overview

Diisopropylphosphostigmine (CAS: 77967-15-8) is a chemical compound with molecular formula C16H30NO8PS and molecular weight 427.5 g/mol. Its IUPAC systematic name is [3-di(propan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate. Topological Polar Surface Area 120.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 427.14297 Heavy Atoms 27 Complexity 442.0 InChI Key: OOIWSIHAMHVGIP-UHFFFAOYSA-M. SMILES: CC(C)OP(=O)(OC1=CC=CC(=C1)[N+](C)(C)C)OC(C)C.COS(=O)(=O)[O-].

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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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What documentation do you provide with the product?
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