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81256-81-7

81256-81-7 structural image
Product Name: 1'-HYDROXYMIDAZOLAM--D-GLUCURONIDE
Formula: C24H21ClFN3O7
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COMPUTED DESCRIPTORS

Molecular Weight 517.9 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 517.1052059 g/mol
Monoisotopic Mass 517.1052059 g/mol
Topological Polar Surface Area 147 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 840
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

1-hydroxymidazolam beta-D-glucuronide is a beta-D-glucosiduronic acid that is beta-D-glucuronic acid in which the anomeric hydroxyl hydrogen has been replaced by a 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-yl group. It is the glucuronidated conjugate of the midazolam metabolite, 1-hydroxymidazolam. It has a role as a drug metabolite, a human urinary metabolite and a human blood serum metabolite. It is a beta-D-glucosiduronic acid, a monosaccharide derivative, an imidazobenzodiazepine, a member of monofluorobenzenes and an organochlorine compound. It is functionally related to a 1-hydroxymidazolam.