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133-16-4

133-16-4 structural image
Product Name: CHLOROPROCAINE
Formula: C13H19ClN2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Odor ODORLESS
Melting Point 173-174ºC
Solubility 0.665 mg/mL
LogP 2.86
Stability/Shelf Life STABLE IN AIR /HYDROCHLORIDE/
Decomposition When heated to decomposition it emits toxic fumes of nitroxides and /hydrogen chloride/.
Dissociation Constants 9
Kovats Retention Index 2229 2229
Other Experimental Properties Crystals; mp: 176-178 °C (microstage); bitter taste; aq soln are just acid to litmus and turn yellow on standing; about 1 g sol in: 22 ml water @ 20 °C, 100 ml 95% ethanol /Hydrochloride/

COMPUTED DESCRIPTORS

Molecular Weight 270.75 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 270.1135055 g/mol
Monoisotopic Mass 270.1135055 g/mol
Topological Polar Surface Area 55.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 259
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

Chloroprocaine is procaine in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is used as its monohydrochloride salt as a local anaesthetic, particularly for oral surgery. It has the advantage over lidocaine of constricting blood vessels, so reducing bleeding. It has a role as a local anaesthetic, a peripheral nervous system drug and a central nervous system depressant. It is a benzoate ester and a member of monochlorobenzenes. It is functionally related to a 2-diethylaminoethanol and a 4-amino-2-chlorobenzoic acid.