123040-16-4
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.