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42461-84-7

Basic Information
CAS No.: 42461-84-7
Name: Flunixin meglumin
Molecular Structure:
Molecular Structure of 42461-84-7 (Flunixin meglumin)
Formula: C14H11F3N2O2.C7H17NO5
Molecular Weight: 491.46
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);
EINECS: 255-836-0
Density: 1.403 g/cm3
Melting Point: 136-138 °C
Boiling Point: 378.7 °C at 760 mmHg
Flash Point: 182.8 °C
Solubility: soluble in water
Appearance: off-white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 175.40000
LogP: 0.95620
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  • Flunixin meglumin CAS NO.42461-84-7

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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