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524944-72-7

524944-72-7 structural image
Product Name: 1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE
Formula: C21H30N4O3
Synonyms: 1-Butyl-3-(3-hydroxypropyl)-8-(3-noradamantyl)xanthine;1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione;PSB-36
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COMPUTED DESCRIPTORS

Molecular Weight 386.5 g/mol
XLogP3 4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 386.23179083 g/mol
Monoisotopic Mass 386.23179083 g/mol
Topological Polar Surface Area 89.5 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 642
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

LSM-1748 is an oxopurine.