Basic information
- Standard SMILES
CC(=O)OC(C)C[N+](C)(C)C.[I-]- InChIKey
LCQWLOBDIMPRBS-UHFFFAOYSA-M- Molecular formula
- C8H18INO2
- Average molar mass
- 287.14 g/mol
- Monoisotopic mass
- 287.03822682
Names & identifiers
- Preferred name
- Methacholine iodide
- IUPAC
- 2-acetyloxypropyl(trimethyl)azanium iodide
- English name
- Acetyl-beta-methylcholine iodide
- Molecular formula
- C8H18INO2
- Molecular weight
- 287.14
Names & synonyms
Methacholine iodide625-19-4Acetyl-beta-methylcholine iodide2-Acetoxypropyltrimethylammonium iodideMecholyl iodideUNII-84CEW0PVDV84CEW0PVDVEINECS 210-879-42-acetyloxypropyl(trimethyl)azanium;iodideNSC 281057NSC-281057ACETYL-BETA-METHYLCHOLINEIODIDE
Show more names
CHEMBL12137orb1740505SCHEMBL1256548LCQWLOBDIMPRBS-UHFFFAOYSA-MDTXSID801365980NSC281057NS00080636T68975
Database identifiers
- CAS
625-19-4- PubChem CID
- 3083639
- DTXSID
DTXSID801365980- ChEMBL
CHEMBL12137- UNII
- 84CEW0PVDV
- EC Number
- 210-879-4
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- FDA UNII
- 84 CEW0PVDV · 84CEW0PVDV
Chemistry & industry
Applications
UsesMethacholine iodide is a potent muscarinic-3 (M3) agonist. Methacholine iodide acts directly on acetylcholine receptors on smooth muscle causing bronchoconstriction and airway narrowing. Methacholine iodide shows a high sensitivity to identify bronchial hyperresponsiveness (BHR). Methacholine iodide can be used to measure airway hyperresponsiveness (AHR) as a diagnostic aid in the assessment of individuals with asthma-like symptoms and normal resting expiratory flow rates[1][2][3][4].
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
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Linked notes
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