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64118-81-6

64118-81-6 structural image
Product Name: Diclofenac Acyl Glucuronide
Formula: C20H19Cl2NO8
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 472.3 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 471.0487720 g/mol
Monoisotopic Mass 471.0487720 g/mol
Topological Polar Surface Area 146 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 630
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

Diclofenac beta-D-glucosiduronic acid is a beta-D-glucosiduronic acid (beta-D-glucuronide) that is a metabolite of diclofenac. It has a role as a drug metabolite. It is a beta-D-glucosiduronic acid, a dichlorobenzene, a monocarboxylic acid and a secondary amino compound. It is functionally related to a diclofenac.