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Flunixin meglumine
- Iupac Name：(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;
2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
- CAS No.: 42461-84-7
- Molecular Weight：491.45813
- Modify Date.: 2022-11-22 15:40
- Introduction:
Flunixin Meglumine is a potent inhibitor of COX used as analgesic agent with anti-inflammatory and antipyretic activity. Target: COXFlunixin meglumine is a potent, non-narcotic, non-steroidal analgesic agent with anti-inflammatory and antipyretic activity. It is a potent inhibitor of the enzyme cyclooxygenase. Flunixin meglumine therapy significantly (P less than or equal to 0.05) reduced rectal temperatures and quarter signs of inflammation and improved clinically graded depression when
Flunixin meglumine is an organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs. It has a role as an antipyretic, a non-narcotic analgesic, a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It contains a flunixin(1-).
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1. Names and Identifiers
- 1.1 Name
- Flunixin meglumine
- 1.2 Synonyms
1-deoxy-1-(methylamino)-d-glucito2-((2-methyl-3-(trifluoromethyl)phenyl)am 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylate, 1-deoxy-1-(methylamino)-D-glucitol(1:1) 2-[[2-Methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid meglumine salt Banamine 2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) 2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) 3-pyridinecarboxylic acid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-, compd. with D-glucitol, 1-deoxy-1-(methylamino)- (1:1) EINECS 255-836-0 Flunixin (meglumine) Flunixin Meglumine injectable grade Flunixin Meglunine FLUNIXIN N-METHYLGLUCAMINE Flunixin Solution, 100ppm flunixinn-methylglucanine ino)-3-pyridinecarboxylate(salt) MFCD01725419
- 1.3 CAS No.
- 42461-84-7
- 1.4 CID
- 39212
- 1.5 EINECS(EC#)
- 255-836-0
- 1.6 Molecular Formula
- C21H28F3N3O7 (isomer)
- 1.7 Inchi
- InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
- 1.8 InChkey
- MGCCHNLNRBULBU-WZTVWXICSA-N
- 1.9 Canonical Smiles
- CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNCC(C(C(C(CO)O)O)O)O
- 1.10 Isomers Smiles
- CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
2. Properties
- 2.1 Density
- 1.403
- 2.1 Melting point
- 136-138℃
- 2.1 Boiling point
- 378.7 °C at 760 mmHg
- 2.1 Flash Point
- 182.8 °C
- 2.1 Precise Quality
- 491.18800
- 2.1 PSA
- 175.40000
- 2.1 logP
- 0.95620
- 2.1 Solubility
- H2O: freely soluble
- 2.2 Appearance
- solid
- 2.3 Chemical Properties
- White Solid
- 2.4 Color/Form
- off-white
- 2.5 Water Solubility
- H2O: freely soluble
- 2.6 StorageTemp
- room temp
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: An organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic propertes; used in veterinary medicine for treatment of horses, cattle and pigs.
- 3.2 Usage
- dental carries prophylactic
4. Safety and Handling
- 4.1 Symbol
- GHS07;
- 4.1 Hazard Codes
- Xi
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S26;S36
- 4.1 Hazard Declaration
- H315; H319; H335
- 4.1 RIDADR
- UN 2811 6.1 / PGI
- 4.1 Caution Statement
- P261-P305 + P351 + P338
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- LZ4367000
- 4.1 Toxicity
-
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- LZ4367000
- CHEMICAL NAME :
- D-Glucitol, 1-deoxy-1-(methylamino)-,
2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-
pyridinecarboxylate (salt)
- CAS REGISTRY NUMBER :
- 42461-84-7
- LAST UPDATED :
- 199403
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H11-F3-N2-O2.C7-H17-N-O5
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 39600 ug/kg/12D-I
- TOXIC EFFECTS :
- Behavioral - food intake (animal)
Gastrointestinal - ulceration or bleeding from stomach
- REFERENCE :
- JAVMA4 Journal of the American Veterinary Medical Association. (American
Veterinary Medical Assoc., 930 N. Meacham Rd., Schaumburg, IL 60196) V.48-
1915- Volume(issue)/page/year: 202,71,1993
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 3
Eye irritation, Category 2
Acute toxicity - Inhalation, Category 2
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Danger |
| Hazard statement(s) | H301 Toxic if swallowed H319 Causes serious eye irritation H330 Fatal if inhaled H411 Toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P284 [In case of inadequate ventilation] wear respiratory protection. P273 Avoid release to the environment. |
| Response | P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P320 Specific treatment is urgent (see ... on this label). P391 Collect spillage. |
| Storage | P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Other Information
- 6.0 Mesh
- 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. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)|Drugs that are used to reduce body temperature in fever. (See all compounds classified as Antipyretics.)
- 6.1 Mesh Entry Terms
- Banamine
- 6.2 Use Classification
- Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
- 6.3 Target
- Value
- 6.4 Chemical Properties
- White Solid
- 6.5 Uses
- dental carries prophylactic
- 6.6 Uses
-
Flunixin meglumine has been used as a nonsteroidal anti-inflammatory drug standard in electrospray ionization mass spectrometry (LC-ESI/MS).
7. Computational chemical data
- Molecular Weight: 491.45813g/mol
- Molecular Formula: C21H28F3N3O7
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 491.18793473
- Monoisotopic Mass: 491.18793473
- Complexity: 510
- Rotatable Bond Count: 9
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 13
- Topological Polar Surface Area: 175
- Heavy Atom Count: 34
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADceB7OYAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwAQCAAADBzhmhY/+JLIEgCoAjb3bACCgCk1AiAJ2KE4bNiLNvrAnZGEcYhv0APZ2ef48YYOgAAAQAASAAAAAACAACQAAAAAAAAAAA==
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9. Realated Product Infomation
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