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Flunixin meglumin

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Name

Flunixin meglumin

EINECS 255-836-0
CAS No. 42461-84-7 Density 1.403 g/cm3
PSA 175.40000 LogP 0.95620
Solubility soluble in water Melting Point 136-138 °C
Formula C14H11F3N2O2.C7H17NO5 Boiling Point 378.7 °C at 760 mmHg
Molecular Weight 491.464 Flash Point 182.8 °C
Transport Information N/A Appearance off-white powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 42461-84-7 (Flunixin meglumin) Hazard Symbols IrritantXi
Synonyms

Banamine (Veterinary);Flunixin N-methylglucanine;2-(alpha(sup 3),alpha(sup 3),alpha(sup 3)-Trifluoro-2,3-xylidino)nicotinic acid compound with 1-deoxy-1-(methylamino)-D-glucitol (1:1);Finadyne;(2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol; 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid;2-((2-Methyl-3-(trifluoromethyl)-phenyl)amino)-3-pyridinecarboxylic acid with meglumine compounded;D-Glucitol,1-deoxy-1-(methylamino)-,2-[[2- methyl-3-(trifluoromethyl)phenyl]amino]-3- pyridinecarboxylate (salt);1-Deoxy-1-(methylamino)-D-glucitol 2-(2-methyl-3-(perfluoromethyl)anilino)nicotinate;3-Pyridinecarboxylic acid, 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);Flunixin Meglumine [USAN];Banamine;1-deoxy-1-(methylamino)-D-glucitol 2-[2-methyl-3-(perfluoromethyl)anilino]nicotinate;meglumine salt(Flunixin meglumine);

Article Data 2

Flunixin meglumin Specification

The IUPAC name of Flunixin Meglumine is (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid. With the CAS registry number 42461-84-7, it is also named as Sch 14714 meglumine. The classification codes are Analgesic; Anti-inflammatory; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Prostaglandin antagonists. It is off-white powder which is soluble in water, ethanol (96%) and methanol, almost insoluble in ethyl ester and chloroform. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Flunixin Meglumine can be summarized as: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 35.37; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 97.41; (8)ACD/KOC (pH 7.4): 15.91; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Enthalpy of Vaporization: 66.1 kJ/mol; (13)Vapour Pressure: 2.08E-06 mmHg at 25°C; (14)Rotatable Bond Count: 9; (15)Tautomer Count: 4; (16)Exact Mass: 491.187935; (17)MonoIsotopic Mass: 491.187935; (18)Topological Polar Surface Area: 175; (19)Heavy Atom Count: 34; (20)Complexity: 510; (21)Defined Atom StereoCenter Count: 4.

Uses of Flunixin Meglumine: This drug can be used for horses to reduce inflammation and pain caused by muscle abnormal and ease the internal organs angina. When using for cattle, it can treat respiratory disease and mastitis caused by endotoxin. For dogs, it treats arthritis, fever, diarrhea, tremors, eye infections and so on.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure. 
1. SMILES:FC(F)(F)c2c(c(Nc1ncccc1C(=O)O)ccc2)C.O[C@@H](CNC)[C@@H](O)[C@H](O)[C@H](O)CO
2. InChI:InChI=1/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 
3. InChIKey:MGCCHNLNRBULBU-WZTVWXICBS

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