Edrophonium

C₁₀H₁₆NO+ — CID 3202

About Edrophonium

Edrophonium (PubChem CID 3202) has the molecular formula C₁₀H₁₆NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is ethyl-(3-hydroxyphenyl)-dimethylazanium.

Molecular Properties

• Compound Name: Edrophonium
• PubChem CID: 3202
• Molecular Formula: C₁₀H₁₆NO+
• Molecular Weight: 166.24 g/mol
• Exact Mass: 166.12
• IUPAC Name: ethyl-(3-hydroxyphenyl)-dimethylazanium
• SMILES: CC[N+](C)(C)c1cccc(O)c1
• InChI: InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
• InChIKey: VWLHWLSRQJQWRG-UHFFFAOYSA-O
• XLogP: 1.98
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.24
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Edrophonium?

The IUPAC name of Edrophonium (CID 3202) is ethyl-(3-hydroxyphenyl)-dimethylazanium.

What is the SMILES notation for Edrophonium?

The canonical SMILES for Edrophonium is CC[N+](C)(C)c1cccc(O)c1.

What is the InChIKey of Edrophonium?

The InChIKey is VWLHWLSRQJQWRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1.

What are the key properties of Edrophonium?

Edrophonium has a molecular weight of 166.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Edrophonium is sourced from PubChem (CID 3202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3202 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 988 — approved-drug record (CC BY-SA 4.0)

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