2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)

Basic Information

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CAS Number

42461-84-7

Molecular Formula

C21H28F3N3O7

Molecular Weight

491.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

136.6-137.4 °C

Boiling Point

378.7°C at 760 mmHg

Density

1.403

Flash Point

182.8 °C

Solubility

H2O: freely soluble

SMILES

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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

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

InChIKey

MGCCHNLNRBULBU-WZTVWXICSA-N

LogP

0.49231999999999904

Topological Polar Surface Area

175.39999999999998 Å²

Hydrogen Bond Donor/Acceptor

8 / 10

Complexity

510

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Flunixin meglumine [USAN:USP]
Flunazine-S
Q27145782
Banamine [vetarynary] (TN)
H10204
Flunixin Meglumine [USAN]
Banamine, Banamine-S
Flunixin Injection
Flunixin (meglumine)
Flunixin meglumine, United States Pharmacopeia (USP) Reference Standard
MFCD01725419
FLUNIXIN MEGLUMINE (USP-RS)
Flunixin Meglumine Solution
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol2-((2-methyl-3-(trifluoromethyl)phenyl)amino)nicotinate
Sch 14714 meglumine
Flunixin meglumine, European Pharmacopoeia (EP) Reference Standard
HMS2093I10
Banamine (Veterinary)
Flunixin Injection-S
Flumeglumine
1-Deoxy-1-(methylamino)-D-glucitol 2-(2-methyl-3-(perfluoromethyl)anilino)nicotinate
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)nicotinate
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)
s2108
Banamine (vetarynary)
2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid--1-deoxy-1-(methylamino)-D-glucitol (1/1)
Flunixin Meglumine Injection
FLUNIXIN MEGLUMINE [MART.]
42461-84-7
SMR000875279
Flunixin-S

MDL Number

MFCD01725419

FAQ

What is 2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) (CAS: 42461-84-7)?

2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1), with CAS number 42461-84-7, is a complex organic compound that combines a nicotinic acid derivative with a modified glucose structure. It is known for its potential role in pharmaceutical research and development, particularly in the context of drug design and metabolic studies. The compound features a nicotinamide moiety and a glucitol derivative, making it relevant in biochemical and medicinal applications.

What are the main uses of 2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) (CAS: 42461-84-7)?

This compound is primarily used in pharmaceutical research for studying metabolic pathways and drug interactions. It may also find applications in the development of novel therapeutics, particularly in areas such as diabetes management and enzyme inhibition. Additionally, it is used in chemical synthesis and as a building block for more complex molecules in laboratory settings.

Is 2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) (CAS: 42461-84-7) safe?

The safety of 2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) depends on its application and exposure conditions. As a research compound, it should be handled with appropriate safety measures, including the use of personal protective equipment (PPE) and proper ventilation. It is important to follow established safety guidelines and regulatory standards when working with this substance.

How should 2-{[2-Methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1) (CAS: 42461-84-7) be stored?

To ensure stability and safety, this compound should be stored in a cool, dry, and dark place. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and direct light. Proper storage conditions help prevent degradation and maintain its chemical integrity for research and pharmaceutical use.