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13710-19-5

13710-19-5 structural image
Product Name: Tolfenamic acid
Formula: C14H12ClNO2
Synonyms: 2 (3-Chloro-2-methylanilino)benzoic acid;2-([3-Chloro-2-methylphenyl]amino)benzoic acid;Tolfenamic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 207ºC
Solubility >39.3 [ug/mL] (The mean of the results at pH 7.4)
LogP 5.17
Dissociation Constants 5.11
Collision Cross Section 155.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 261.70 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 261.0556563 g/mol
Monoisotopic Mass 261.0556563 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 298
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tolfenamic acid is an aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and an EC 2.7.1.33 (pantothenate kinase) inhibitor. It is an aminobenzoic acid, an organochlorine compound and a secondary amino compound. It is functionally related to an anthranilic acid.

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Chromex Dyes

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