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75706-12-6

75706-12-6 structural image
Product Name: Leflunomide
Formula: C12H9F3N2O2
Synonyms: 5-Methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide;5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide;Leflunomide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Crystals from toluene
Melting Point 165-166 °C
Solubility 21 mg/L (poorly soluble)
Vapor Pressure 1.25X10-6 mm Hg at 25 °C /Estimated/
LogP 2.8
Henry's Law Constant Henry's Law constant = 1.23X10-10 atm-cu m/mol at 25 °C /Estimated/
Other Experimental Properties Hydroxyl radical reaction rate constant = 7.33X10-12 cu cm/molc-sec at 25 °C /Estimated/

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
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.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 270.21 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 270.06161202 g/mol
Monoisotopic Mass 270.06161202 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 327
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

Leflunomide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide. It has a role as a non-steroidal anti-inflammatory drug, an antineoplastic agent, an antiparasitic agent, an EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor, a hepatotoxic agent, a prodrug, a pyrimidine synthesis inhibitor, an immunosuppressive agent, an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and a tyrosine kinase inhibitor. It is a monocarboxylic acid amide, a member of isoxazoles and a member of (trifluoromethyl)benzenes.

RELATED SUPPLIERS

Frolic Pharmachem

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product:75706-12-6 LEFLUNOMIDE IH 99%

KARPSCHEM LABORATORIES PVT. LTD.

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PANCHSHEEL ORGANICS LTD

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Alembic Pharmaceuticals Limited

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Cipla Ltd

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Hetero Drugs Limited

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Dayaram Pharma Chem

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Stellar Chemical Laboratories Pvt., Ltd.

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Alfa Omega Pharma

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