Basic information
- CAS
23779-99-9- Standard SMILES
O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12- InChIKey
APQPGQGAWABJLN-UHFFFAOYSA-N- Molecular formula
- C20H17F3N2O4
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.11404151
Overview
Floctafenine is an organic molecular entity.
Names & identifiers
- Preferred name
- Floctafenine
- IUPAC
- 2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
- English name
- floctafenine
- Molecular formula
- C20H17F3N2O4
- Molecular weight
- 406.36
Names & synonyms
floctafenine23779-99-9NovodolanIdaracDiralganIdalon2,3-Dihydroxypropyl 2-((8-(trifluoromethyl)quinolin-4-yl)amino)benzoateFLOCTAFENINFloctafeninaRU 15750R 4318Floctafeninum
Show more names
R 4138floctafenine USP/EP/BP1-[N-[8-(TrifluoroMethyl)-4-quinolyl]anthranilate]glycerol
2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoateRu-15750DTXSID8057695O04HVX6A9QR-4318Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2,3-dihydroxypropyl esterR-41382,3-Dihydroxypropyl N-(8-(trifluoromethyl)-4-quinolyl)anthranilate
Database identifiers
- CAS
23779-99-9- PubChem CID
- 3360
- DTXSID
DTXSID8057695- ChEMBL
CHEMBL2105075- ChEBI
CHEBI:31612- UNII
- O04HVX6A9Q
- EC Number
- 245-881-4
- Nikkaji
- J20.331I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Experimental & physicochemical properties
DrugsPharmaceuticals -> Musculo-skeletal system -> Anti-inflammatory and antirheumatic products
Human DrugsPharmaceuticals
Melting Point179-180
Physicochemical properties
- Melting point
- 179 · 179-180°
- Boiling point
- 592.1 · 592.1±50.0 °C(Predicted)
- Density
- 1.3473 · 1.3473 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.07 · 13.07±0.20(Predicted)
- color
- Off-White to Pale Beige
- FDA UNII
- 4 HVX6A9Q · O04HVX6A9Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 in male mice, rats (mg/kg): 3400, 960 orally; 180, 160 i.v. (Glomot)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesFloctafenine is an nonsteroidal antiinflammatory drug (NSAID) used in inflammatory disorders.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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