Completing data — usually done within a minute
Basic information
- Standard SMILES
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1- InChIKey
LPEPZBJOKDYZAD-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO2
- Average molar mass
- 281.233 g/mol
- Monoisotopic mass
- 281.06636322
Names & identifiers
- Preferred name
- Flufenamic acid
- IUPAC
- 2-[3-(Trifluoromethyl)anilino]benzoic acid
- English name
- Flufenamic acid
- Molecular formula
- C14H10F3NO2
- Molecular weight
- 281.23
Names & synonyms
FAFFAFlufenamicX25CyaYFARRci440ANT-1ArlefCI 440
Database identifiers
- CAS
530-78-9- PubChem CID
- 3371
- DTXSID
DTXSID7023063- ChEMBL
CHEMBL23588- ChEBI
CHEBI:42638- UNII
- 60GCX7Y6BH
- EC Number
- 208-494-1
- Nikkaji
- J2.064H
Properties
Physicochemical properties
- Melting point
- 132 · 132-135 °C(lit.)
- Boiling point
- 373.9 · 373.9±42.0 °C(Predicted)
- Density
- 1.338 · 1.3380 (estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 11 · soluble in organic solvents such as ethanol, DMSO, and dimethyl formamide. The solubility of flufenamic acid in these solvents is approximately 11, 39, and 59 mg/ml, respectively.
- pka
- 3.9 · pKa 3.9 (Uncertain);3.85 (Uncertain)
- form
- Crystalline Powder or Chunks
- color
- Off-white to gray-green
- Water Solubility
- 0.0265 g/L · 0.0265 g/L (37 ºC)
- Merck
- 14 · 14,4132
- BRN
- 1996069 · 1996069
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
- InChIKey
- LPEPZBJOKDYZAD-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
- LogP
- 5.25 · 5.25
- CAS DataBase Reference
- 530 · 530-78-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 60 GCX7Y6BH · 60GCX7Y6BH
- ATC code
- 1 AG03 · M01AG03
- NIST Chemistry Reference
- Flufenamic acid(530-78-9)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/38
- Safety Statements
- 26 · 26
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 4375000 · CB4375000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29224999 · 29224999
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- Toxicity
- 50 in · LD50 in mice: 715 mg/kg orally (Zoni)
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- CB4375000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29224999
- Toxicity
- LD50 in mice: 715 mg/kg orally (Zoni)
- risk_code
- 22-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H315-H319
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionFlufenamic acid (FFA), namely N-(alpha,alpha,alpha-trifluorom-tolyl) anthranilic acid (CI-440), is an aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. It is an effective drug in the treatment of special types of migraine. Its anti-inflammatory and analgesic effects were recognized in the 1960s (Winder et al., 1963) and thus FFA is included in the family of non-steroidal anti-inflammatory drugs (NSAIDs) with mefenamic, meclofenamic (MFA) and niflumic acids (NA). Anti-inflammatory actions occur mainly through reduction of prostaglandin synthesis from arachidonic acid by inhibiting the cyclo-oxygenases.
UsesFlufenamic acid is used for moderate pain and dysmenorrhea, but it should not be used for more than 1 week due to the possibility of nephrotoxicity, gastrointestinal toxicity, and anemia. It is frequently used in combination with the anticoagulant warfarin, the effect of which is strengthened when combined with flufenamic acid.
UsesAn NSAID found to be a reversible gap junction blocker
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Upstream raw materials
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Additional notes
DefinitionChEBI: flufenamic acid is an aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an antipyretic. It is an aromatic amino acid and an organofluorine compound. It derives from a diphenylamine, an anthranilic acid and a (trifluoromethyl)benzene. It is a conjugate acid of a flufenamate.
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