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16172-03-5

16172-03-5 structural image
Product Name: OXOLINIC ACID IMPURITY B
Formula: C15H15NO5
Synonyms: Ethyl 5-ethyl-8-oxo-5,8-dihydro-1,3-dioxolo[4,5-g]quinoline-7-carboxylate
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form CRYSTALS FROM DIMETHYLFORMAMIDE
Melting Point 314-316 °C
Collision Cross Section 149.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

COMPUTED DESCRIPTORS

Molecular Weight 261.23 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 261.06372245 g/mol
Monoisotopic Mass 261.06372245 g/mol
Topological Polar Surface Area 76.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 446
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Oxolinic acid is a quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry. It has a role as an antiinfective agent, an antibacterial drug, an enzyme inhibitor, an antimicrobial agent and an antifungal agent. It is a quinolinemonocarboxylic acid, an organic heterotricyclic compound, an aromatic carboxylic acid, an oxacycle and a quinolone antibiotic. It is a conjugate acid of an oxolinate.