Salmefamol
Basic information
- CAS
18910-65-1- Standard SMILES
COc1ccc(CC(C)NCC(O)c2ccc(O)c(CO)c2)cc1- InChIKey
VPMWDFRZSIMDKW-UHFFFAOYSA-N- Molecular formula
- C19H25NO4
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.17835828
Overview
beta adrenergic stimulant similar to albuterol; used as a bronchodilator with little effect on the cardiovascular system; minor descriptor (77-86); on-line & INDEX MEDICUS search ETHANOLAMINES (77-86); RN given refers to parent cpd
Names & identifiers
- Preferred name
- Salmefamol
- IUPAC
- 4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
- English name
- salmefamol
- Molecular formula
- C19H25NO4
- Molecular weight
- 331.409
Names & synonyms
Salmefamol18910-65-1SalmefamolumAH-3923AH 3923Q56SEY8X9J4-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]-2-(hydroxymethyl)phenol4-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methyl-ethyl)amino)ethyl)-2-(hydroxymethyl)phenolRefChem:1809951-(4-hydroxy-3-(hydroxymethyl)phenyl)-2-(4-methoxy-alpha-methylphenethylamino)ethanol242-662-5Salmefamolum [INN-Latin]
Show more names
Salmeterol free basesalmefamol USP/EP/BPSalmeterol (GR33343X)α-[(p-Methoxy-α-methylphenethylamino)methyl]-4-hydroxy-1,3-benzenedimethanol
4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenolAHR 3929EINECS 242-662-5AH 3923;AH-3923; AH39234-Hydroxy-alpha1-[[[2-(4-methoxyphenyl)-1-methylethyl]amino]methyl]-1,3-benzenedimethanolSalmefamol [INN:BAN]UNII-Q56SEY8X9JBRN 2162832
Database identifiers
- CAS
18910-65-1- PubChem CID
- 86805
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 553.4 · 553.4±45.0 °C(Predicted)
- Density
- 1.2 · 1.200
- solubility
- DMSO
- form
- Powder
- pka
- 9.98 · 9.98±0.31(Predicted)
- FDA UNII
- 56 SEY8X9J · Q56SEY8X9J
Chemistry & industry
Applications
UsesSalmefamol (AH3923) is an orally active β2-adrenoceptor agonist. Salmefamol (AH3923) can be used in the study for asthma[1].
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Compound notes
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