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84625-59-2

84625-59-2 structural image
Product Name: DOTARIZINE
Formula: C29H34N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 442.6 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 442.262028332 g/mol
Monoisotopic Mass 442.262028332 g/mol
Topological Polar Surface Area 24.9 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 534
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

Dotarizine is an N-alkylpiperazine in which the two amino hydrogens of piperazine have been replaced by diphenylmethyl and 3-(2-phenyl-1,3-dioxolan-2-yl)propyl groups. A calcium channel blocker and serotonin (5-HT2) receptor antagonist used in the treatment of migraine. It has a role as a calcium channel blocker, a serotonergic antagonist and a vasodilator agent. It is a N-alkylpiperazine, a dioxolane and a cyclic ketal.