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59333-79-8

59333-79-8 structural image
Product Name: 4-Hydroxydebrisoquine
Formula: C10H13N3O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 191.23 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 191.105862047 g/mol
Monoisotopic Mass 191.105862047 g/mol
Topological Polar Surface Area 73.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 231
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

4-hydroxydebrisoquin is an isoquinoline that is 3,4-dihydroisoquinoline bearing amidino and hydroxy substituent at positions 2 and 4 respectively. It has a role as a metabolite. It is a carboxamidine, a member of isoquinolines and a secondary alcohol.