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483-17-0

483-17-0 structural image
Product Name: cephaeline
Formula: C28H38N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 466.6 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 466.28315770 g/mol
Monoisotopic Mass 466.28315770 g/mol
Topological Polar Surface Area 63.2 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 664
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
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

Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. It derives from a hydride of an emetan.