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641571-10-0

641571-10-0 structural image
Product Name: Nilotinib
Formula: C28H22F3N7O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White to slightly yellowish to slightly greenish yellow powder
Solubility The solubility ... in aqueous solutions decreases with increasing pH
Dissociation Constants pKa1 = 2.1; pKa2 = 5.4
Other Experimental Properties A monohydrate monohydrochloride

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements 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.
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 529.5 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 529.18379284 g/mol
Monoisotopic Mass 529.18379284 g/mol
Topological Polar Surface Area 97.6 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 817
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

Nilotinib is a member of (trifluoromethyl)benzenes, a member of pyrimidines, a member of pyridines, a member of imidazoles, a secondary amino compound and a secondary carboxamide. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and an anticoronaviral agent.

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All suppliers(5)