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1174018-99-5

1174018-99-5 structural image
Product Name: Relebactam
Formula: C12H20N4O6S
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COMPUTED DESCRIPTORS

Molecular Weight 348.38 g/mol
XLogP3 -3.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 348.11035554 g/mol
Monoisotopic Mass 348.11035554 g/mol
Topological Polar Surface Area 137 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 585
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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

Relebactam is a diazabicyclooctane beta-lactamase inhibitor, similar in structure to [avibactam]. It includes a piperidine ring which reduces export from bacterial cells by producing a positive charge. It is currently available in a combination product which includes [imipenem] and [cilastatin] to treat complicated urinary tract infections (UTIs), pyelonephritis, and complicated intra-abdominal infections in adults. It is considered to be a last-line treatment option and gained FDA approval as part of the combination product RecarbrioⓇ in July 2019.