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128196-02-1

128196-02-1 structural image
Product Name: (R)-(-)-CITALOPRAM
Formula: C20H21FN2O
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 39.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 324.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 324.16379146 g/mol
Monoisotopic Mass 324.16379146 g/mol
Topological Polar Surface Area 36.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 466
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

(R)-citalopram is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram. It is a conjugate base of a (R)-citalopram(1+). It is an enantiomer of an escitalopram.