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1110-80-1

1110-80-1 structural image
Product Name: pipacycline
Formula: C29H38N4O9
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COMPUTED DESCRIPTORS

Molecular Weight 586.6 g/mol
XLogP3 -2.3
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 6
Exact Mass 586.26387880 g/mol
Monoisotopic Mass 586.26387880 g/mol
Topological Polar Surface Area 194 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 1200
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

Pipacycline is tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. It has a role as an antimicrobial agent. It is a member of tetracyclines, a N-alkylpiperazine and a tertiary alpha-hydroxy ketone. It is a conjugate base of a pipacycline(1+).