Floxacrine

HCID 68708

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Basic information

CAS: 53966-34-0
Standard SMILES: O=C1CC(c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O
InChIKey: AWHZKKVSUJJVNL-UHFFFAOYSA-N
Molecular formula: C20H13ClF3NO3
Average molar mass: 407.8 g/mol
Monoisotopic mass: 407.05360562

Names & identifiers

Preferred name: Floxacrine
IUPAC: 7-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-acridine-1,9-dione
English name: Floxacrine
Molecular formula: C20H13ClF3NO3
Molecular weight: 407.774

Names & synonyms

Floxacrine53966-34-0FloxacrinaFloxacrinumV09GC6329GDTXSID308663737-chloro-10-hydroxy-3-(4-trifluoromethylphenyl)-3,4-dihydroacridine-1,9(2h,10h)-dioneRefChem:140785DTXCID80814662Floxacrine [INN]HOE-9917-chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-acridine-1,9-dione

Show more names

7-Chloro-3,4-dihydro-10-hydroxy-3-[p-(trifluoromethyl)phenyl]-1,9(2H,10H)-acridinedione1,9(2H,10H)-Acridinedione, 7-chloro-3,4-dihydro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-

7-chloro-10-hydroxy-3-(4-(trifluoromethyl)phenyl)-3,4-dihydroacridine-1,9(2H,10H)-dioneFloxacrinum [INN-Latin]Floxacrina [INN-Spanish]UNII-V09GC6329G7-Chloro-10-hydroxy-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroacridine-1,9(2H,10H)-dioneCHEMBL333634orb1700589SCHEMBL2109331

Database identifiers

CAS: 53966-34-0
PubChem CID: 68708
DTXSID: DTXSID30866373
ChEMBL: CHEMBL333634
UNII: V09GC6329G
Nikkaji: J11.859A

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 28
Formal charge: 0
Complexity: 699

Experimental & physicochemical properties

LogP3.46

Physicochemical properties

FDA UNII: 9 GC6329G · V09GC6329G

Chemistry & industry

Applications

UsesFloxacrine (HOE-991) is a dihydroacridinedione derivative with antimalarial activity. Floxacrine can be used to study its activity against different Plasmodium species[1].