Butofilolol
Basic information
- CAS
58930-32-8- Standard SMILES
CCCC(=O)c1cc(F)ccc1OCC(O)CNC(C)(C)C- InChIKey
NMBNQRJDEPOXCP-UHFFFAOYSA-N- Molecular formula
- C17H26FNO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.18967185
Overview
Butofilolol is an aromatic ketone.
Names & identifiers
- Preferred name
- Butofilolol
- IUPAC
- 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one
- English name
- 2'-[3-(tert-butylamino)-2-hydroxypropoxy]-5'-fluorobutyrophenone
- Molecular formula
- C17H26FNO3
- Molecular weight
- 311.39
Names & synonyms
Butofilolol58930-32-864552-17-64AZC6Y5A8GCM-6805DTXSID308670822'-(3-(tert-Butylamino)-2-hydroxypropoxy)-5'-fluorobutyrophenone1-Butanone, 1-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-5-fluorophenyl)-Butofilololum2'-[3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY]-5'-FLUOROBUTYROPHENONERefChem:122169DTXCID60815293
Show more names
1-Butanone, 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-
261-502-5Cafide1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-1-butanoneButofilolol [INN]1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one1-(2-(3-(tert-butylamino)-2-hydroxypropoxy)-5-fluorophenyl)butan-1-one1-{2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl}butan-1-one(+/-)-2-[3-(tert-Butylamino)-2-hydroxypropoxy]-5-fluorobutyrophenone
Database identifiers
- CAS
58930-32-8- PubChem CID
- 68838
- DTXSID
DTXSID30867082- ChEMBL
CHEMBL157443- ChEBI
CHEBI:135327- UNII
- 4AZC6Y5A8G
- EC Number
- 261-502-5
- Nikkaji
- J308.569D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
DrugsPharmaceuticals -> Cardiovascular system -> Beta blocking agents
Physicochemical properties
- FDA UNII
- 4 AZC6Y5A8G · 4AZC6Y5A8G
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
Applications
UsesButofilolol is a beta-blocker drug and used for treating hypertension.
Additional notes
DefinitionChEBI: Butofilolol is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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