Flusoxolol
Basic information
- CAS
84057-96-5- Standard SMILES
CC(C)NC[C@H](O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1- InChIKey
CYCXZGUVPDRYLG-FQEVSTJZSA-N- Molecular formula
- C22H30FNO4
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.2158866
Overview
Flusoxolol is a small molecule drug. The usage of the INN stem '-olol' in the name indicates that Flusoxolol is a β-adrenoreceptor antagonist. Flusoxolol has a monoisotopic molecular weight of 391.22 Da.
Names & identifiers
- Preferred name
- Flusoxolol
- IUPAC
- (2S)-1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- Flusoxolol
- Molecular formula
- C22H30FNO4
- Molecular weight
- 391.48
Names & synonyms
Flusoxolol84057-96-5Flusoxololum1GPL60IRCI(S)-1-(p-(2-((p-Fluorophenethyl)oxy)ethoxy)phenoxy)-3-(isopropylamino)-2-propanolRo 31-1411DTXSID70232952RefChem:141053DTXCID00155443UNII-1GPL60IRCIFlusoxololum [Latin]Flusoxolol [INN:BAN]
Show more names
Ro-31-1411(S)-1-[4-[2-[2-(4-Fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(isopropylamino)-2-propanol2-Propanol, 1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-[(1-methylethyl)amino]-, (2S)-
(2S)-1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-olFLUSOXOLOL [INN]orb1740884SCHEMBL1255311CHEMBL2114429(2S)-1-(4-{2-[2-(4-fluorophenyl)ethoxy]ethoxy}phenoxy)-3-[(propan-2-yl)amino]propan-2-olNS00120887T68596
Database identifiers
- CAS
84057-96-5- PubChem CID
- 71765
- DTXSID
DTXSID70232952- ChEMBL
CHEMBL2114429- UNII
- 1GPL60IRCI
- Nikkaji
- J33.096E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
LogP3.7
Physicochemical properties
- FDA UNII
- 1 GPL60IRCI · 1GPL60IRCI
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Related reactions
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Compound notes
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