(+)-Salbutamol
Basic information
- CAS
34271-50-6- Standard SMILES
CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1- InChIKey
NDAUXUAQIAJITI-GFCCVEGCSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.15214353
Names & identifiers
- Preferred name
- (+)-Salbutamol
- IUPAC
- 4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
- English name
- S-(+)-Albuterol
- Molecular formula
- C13H21NO3
- Molecular weight
- 239.31
Names & synonyms
34271-50-6(+)-SalbutamolDTXSID001317232RefChem:1048994DTXCID401747057(S)-ALBUTEROL(s)-salbutamolS-(+)-ALBUTEROL4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol(+)-Albuterols-salbutamolAlbuterol, (+)-
Show more names
Dextrosalbutamol(S)-(+)-SalbutamolS -(+)-Albuterol/(S)-Albuterol HemitartrateSalbutamol Impurity 15（Salbutamol (S)-Isomer ）(S)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenolm-Xylene-a,a'-diol, a1-[(tert-butylamino)methyl]-4-hydroxy-, (S)-(+)- (8CI)1,3-Benzenedimethanol, a1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (S)-
Salbutamol, (+)-Albuterol, S-Enantiomer5F9MRH56GECHEMBL69073orb3028836SCHEMBL5881204SCHEMBL29496690EBC-07774
Database identifiers
- CAS
34271-50-6- PubChem CID
- 182176
- DTXSID
DTXSID001317232- ChEMBL
CHEMBL69073- UNII
- 5F9MRH56GE
- Nikkaji
- J428.073C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 433.5 · 433.5±40.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 9.99 · 9.99±0.31(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses(S)-Albuterol Hemitartrate is the S-enantiomer of Albuterol (A514500), a b2-adrenoceptor agonist. Bronchodilator
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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