Basic information
- CAS
42461-78-9- Standard SMILES
CC(C)(C)NCC(O)c1ccc(O)c(CS(C)(=O)=O)c1.Cl- InChIKey
WRQNLSYJACCVQD-UHFFFAOYSA-N- Molecular formula
- C14H24ClNO4S
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.1114571
Overview
See also: Sulfonterol (has active moiety).
Names & identifiers
- Preferred name
- Sulfonterol Hydrochloride
- IUPAC
- 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(methylsulfonylmethyl)phenol;hydrochloride
- English name
- Sulfonterol hydrochloride
- Molecular weight
- 0
Names & synonyms
Sulfonterol hydrochlorideSulfonterol HClSK&F 53705-A42461-78-9AJ14S16J7NSKF-53705ASK&F-53705ASK&F-53705-ABenzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-3-((methylsulfonyl)methyl)-, hydrochlorideRefChem:932380Sulfonterol hydrochloride [USAN]6Z3D3DL7JC
Show more names
SK and F-53705-A
S35NQ5PU78Sulfonterol hydrochloride, (+)-Sulfonterol hydrochloride, (-)-Sulfonterol hydrochloride (USAN)56490-84-756490-85-8UNII-AJ14S16J7Nalpha-((tert-Butylamino)methyl)-4-hydroxy-3-((methylsulfonyl)methyl)benzyl alcohol hydrochloride
Database identifiers
- CAS
42461-78-9、56490-84-7、56490-85-8- PubChem CID
- 170372
- DTXSID
DTXSID70962505- ChEMBL
CHEMBL2105479- UNII
- 6Z3D3DL7JC、AJ14S16J7N、S35NQ5PU78
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- FDA UNII
- 14 S16J7N · AJ14S16J7N
Chemistry & industry
Applications
UsesBronchodilator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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