Procaterol free base
Basic information
- CAS
72332-33-3- Standard SMILES
CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12- InChIKey
FKNXQNWAXFXVNW-BLLLJJGKSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304257
Overview
A long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation.
Names & identifiers
- Preferred name
- Procaterol free base
- IUPAC
- 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
- English name
- (R*,S*)-(-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone
- Molecular formula
- C16H22N2O3
- Molecular weight
- 290.36
Names & synonyms
NCGC00024999-02Procaterol Impurity 19DTXCID3025673Procaterol free baseCAS-72332-33-32675401-90-6Tocris-1102SCHEMBL4633CHEMBL1478530SCHEMBL30505289FKNXQNWAXFXVNW-BLLLJJGKSA-NHMS2089I17
Show more names
PROCATEROLHTSSPSS1HTSS1HYPT2CI 888CI-888s*)-(+-)-SPIKE_SARS2ZINC00534832
Tox21_110941BDBM50167071EBC-26477Tox21_110941_181262-93-3 pound HCl pound(c)DB01366NCGC00018291-01NCGC00018291-03
Database identifiers
- CAS
72332-33-3- PubChem CID
- 688561
- Nikkaji
- J239.392A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility3.29e-01 g/L
Human DrugsPharmaceuticals
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 107 · 107-109°C
- Boiling point
- 539.544 · 539.544±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol
- form
- Solid
- pka
- 7.704 · 7.704±0.20(predicted)
- color
- White to Off-White
- biological source
- rabbit
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
PharmacodynamicsProcaterol is a long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation.
Mechanism of ActionBeta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow.
Absorption, Distribution and ExcretionBecause of the small therapeutic dose, systemic levels of salmeterol are low or undetectable after inhalation of recommended doses.
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
DescriptionLike pirbuterol, procaterol exhibits similar broncholytic properties as albuteral, but it has somewhat of a more prolonged action. It is recommended for use as an inhaled drug for treating bronchial asthma.
UsesA labelled intermediate of the enantiomer of Florfenicol (F405750), an antibacterial agent.
Additional notes
DefinitionChEBI: 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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