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41708-72-9

41708-72-9 structural image
Product Name: TOCAINIDE
Formula: C11H16N2O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 246-266 °C
Solubility 10700 mg/L
LogP 0.76

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302: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.
P330:Rinse mouth.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 192.26 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 192.126263138 g/mol
Monoisotopic Mass 192.126263138 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 196
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tocainide is a monocarboxylic acid amide in which 2,6-dimethylphenylaniline and isobutyric acid have combined to form the amide bond; used as a local anaesthetic. It has a role as a local anaesthetic, an anti-arrhythmia drug and a sodium channel blocker.