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123040-16-4

123040-16-4 structural image
Product Name: Azasetron hydrochloride
Formula: C17H21Cl2N3O3
Synonyms: 6-Chloro-4-methyl-3-oxo-N-(quinuclidin-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide hydrochloride;N-(1-Azabicyclo[2.2.2]oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride;N-1-Azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxamide monohydrochloride;
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COMPUTED DESCRIPTORS

Molecular Weight 386.3 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 385.0959969 g/mol
Monoisotopic Mass 385.0959969 g/mol
Topological Polar Surface Area 61.9 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 523
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 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Azasetron hydrochloride is a benzoxazine.