Alconil
Basic information
- CAS
97677-19-5- Standard SMILES
O=C1NC(=O)C2(N1)c1ccccc1-c1ccc(F)cc12- InChIKey
JRGBXEJDIMXJAP-UHFFFAOYSA-N- Molecular formula
- C15H9FN2O2
- Average molar mass
- 268.24 g/mol
- Monoisotopic mass
- 268.0648057
Overview
structure given in first source
Names & identifiers
- Preferred name
- Alconil
- IUPAC
- 2-fluorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
- English name
- alconil
- Molecular formula
- C15H9FN2O2
- Molecular weight
- 268.24
Names & synonyms
Alconil97677-19-5ALO-15674Z2DIE088UAL 01567Al 1567Spiro(9H-fluorene-9,4'-imidazolidine)-2',5'-dione, 2-fluoro-AL-1567Spiro(2-fluoro-9H-fluorene-9,4'-imidazolidine)-2',5'-dioneAL01567RefChem:110619CHEMBL7480
Show more names
[14C]-AL 1567Al 1567|||Al1567|||Al-1567Spiro[9H-fluorene-9,4'-imidazolidine]-2',5'-dione, 2-fluoro-
2-fluorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione2-fluorospiro[9h-fluorene-9,4'-imidazolidine]-2',5'-dioneUNII-4Z2DIE088U2-FLUOROSPIRO(9H-FLUORENE-9,4'-IMIDAZOLIDINE)-2',5'-DIONEorb1698573SCHEMBL1201487SCHEMBL30661866ALO1567
Database identifiers
- CAS
97677-19-5- PubChem CID
- 119155
- DTXSID
DTXSID60913743- ChEMBL
CHEMBL7480- UNII
- 4Z2DIE088U
- Nikkaji
- J324.983B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 8.53 · 8.53±0.20(Predicted)
- FDA UNII
- 4 Z2DIE088U · 4Z2DIE088U
Chemistry & industry
Applications
UsesALO1567 (AL1567) is an orally available aldose reductase inhibitor with an IC50 of 27 nM for rat lens aldose reductase. ALO1567 can be used in the research of diabetes[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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