Flunixin meglumine

CAS

42461-84-7

Catalog Number

ACM42461847

Category

Steroidal Compounds

Molecular Weight

491.46

Molecular Formula

C21H28F3N3O7

MSDS COA Spec Sheet

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Specification

Description

Cyclooxigenase inhibitor. Anti-inflammatory; analgesic; antipyretic.

Synonyms

Flunixin Meglumine;2-[[2-Methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid meglumine salt Banamine;

IUPAC Name

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylicacid

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

InChI Key

MGCCHNLNRBULBU-WZTVWXICSA-N

Boiling Point

378.7ºC at 760 mmHg

Melting Point

136-138ºC

Flash Point

182.8ºC

Density

1.403 g/cm³

Appearance

Solid

EC Number

255-836-0

Exact Mass

491.18800

Hazard Codes

Hazard Statements

Xi:Irritant

LogP

0.95620

PSA

175.4

Safety Description

S26-S36

Storage Conditions

0-6ºC

What is the molecular formula of Flunixin meglumine?

The molecular formula of Flunixin meglumine is C21H28F3N3O7.

What is the molecular weight of Flunixin meglumine?

The molecular weight of Flunixin meglumine is 491.5 g/mol.

What are some synonyms for Flunixin meglumine?

Some synonyms for Flunixin meglumine include Banamine and Sch 14714.

What is the IUPAC Name of Flunixin meglumine?

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.

What is the Canonical SMILES representation of Flunixin meglumine?

The Canonical SMILES of Flunixin meglumine is 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.

What is the CAS number of Flunixin meglumine?

The CAS number of Flunixin meglumine is 42461-84-7.

How many hydrogen bond donor counts are there in Flunixin meglumine?

There are 8 hydrogen bond donor counts in Flunixin meglumine.

How many hydrogen bond acceptor counts are there in Flunixin meglumine?

There are 13 hydrogen bond acceptor counts in Flunixin meglumine.

What is the exact mass of Flunixin meglumine?

The exact mass of Flunixin meglumine is 491.18793473 g/mol.

What is the topological polar surface area of Flunixin meglumine?

The topological polar surface area of Flunixin meglumine is 175Å².