Basic information
- CAS
101687-91-6- Standard SMILES
CC(C)(C)NCC(O)c1ccccc1F- InChIKey
XTJMTDZHCLBKFU-UHFFFAOYSA-N- Molecular formula
- C12H18FNO
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.13724236
Overview
Flerobuterol is a beta-adrenoceptor agonist with potential antidepressant activity. Even though preferentially interacts with beta-adrenergic receptors, flerobuterol may exhibit antidepressant activity. Sustained administration of flerobuterol, similar to other beta-adrenergic agonists, may increase serotonin (5-HT) synthesis, thereby enhance serotonergic neurotransmission, partially through an increased transport of the serotonin precursor (tryptophan) to brain.
Names & identifiers
- Preferred name
- Flerobuterol
- IUPAC
- 2-(tert-butylamino)-1-(2-fluorophenyl)ethanol
- English name
- Flerobuterol
- Molecular formula
- C12H18FNO
- Molecular weight
- 211.278
Names & synonyms
Flerobuterol82101-10-8dl-FlerobuterolFlerobuterolum2-(tert-butylamino)-1-(2-fluorophenyl)ethan-1-olF05RR5M463DTXSID80868640RefChem:921654DTXCID40816728Flerobuterol [INN]D-FlerobuterolL-Flerobuterol
Show more names
Benzenemethanol, α-[[(1,1-dimethylethyl)amino]methyl]-2-fluoro-
(+)-Flerobuterol(-)-FlerobuterolFlerobuterol, (+)-Flerobuterol, (-)-65X4YX7X4F2-(tert-butylamino)-1-(2-fluorophenyl)ethanolM5Q6BN4795alpha-((tert-Butylamino)methyl)-o-fluorobenzyl alcohol
Database identifiers
- CAS
101687-91-6、101687-94-9、82101-10-8- PubChem CID
- 71254
- DTXSID
DTXSID80868640- ChEMBL
CHEMBL2106772- UNII
- 65X4YX7X4F、F05RR5M463、M5Q6BN4795
- Nikkaji
- J324.188B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 310.4 · 310.4±27.0 °C(Predicted)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- pka
- 13.52 · 13.52±0.20(Predicted)
- FDA UNII
- 5 RR5M463 · F05RR5M463
Chemistry & industry
Applications
UsesFlerobuterol is a beta-adrenoceptor agonist with antidepressant activity. Flerobuterol enhances serotonergic neurotransmission[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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