Basic information
- CAS
4554-30-7- Standard SMILES
COC(=O)C1=CCC[N+](C)(C)C1.[I-]- InChIKey
WXJOLIZPHGZZKX-UHFFFAOYSA-M- Molecular formula
- C9H16INO2
- Average molar mass
- 297.13 g/mol
- Monoisotopic mass
- 297.02258
Overview
agonist of nicotinic acetylcholine receptors
Names & identifiers
- Preferred name
- Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
- IUPAC
- methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
- English name
- arecoline methiodide
- Molecular formula
- C9H16NO2.I
- Molecular weight
- 297.13
Names & synonyms
Arecoline methiodide4554-30-7RefChem:930345Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)Arecoline iodomethylateArecholine iodomethylateIodomethylate arecholineArecaidine methyl ester methiodideArecholine methiodideNSC 1704501-Methyl-3-carbomethoxy-1,2,5,6-tetrahydropyridinium iodide3-Carboxy-1,2,5,6-tetrahydro-1,1-dimethylpyridinium iodide, methyl ester
Show more names
Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodidePyridinium, 3-carboxy-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide, methyl esterPyridinium, 5-carboxy-1,2,3,6-tetrahydro-1,1-dimethyl-, iodide, methyl esterDTXSID10963399NSC170450NSC-170450Pyridinium, 1,2,5,6-tetrahydro-1,1-dimethyl-3-carboxy-, iodide, methyl esterWLN: T6K CUTJ A1 A1 CVO1 &I
Database identifiers
- CAS
4554-30-7- PubChem CID
- 78313
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 173 · 173-174 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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