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81047-99-6

81047-99-6 structural image
Product Name: (+/-)-CGP-12177 HYDROCHLORIDE
Formula: C14H21N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 279.33 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 279.15829154 g/mol
Monoisotopic Mass 279.15829154 g/mol
Topological Polar Surface Area 82.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 343
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

CGP 12177 is a benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has a role as a beta-adrenergic antagonist. It is a member of benzimidazoles, an aromatic ether, a secondary amino compound and a secondary alcohol.