Tosufloxacin p-Toluenesulfonate Hydrate - ≥98%(HPLC) , CAS No.1400591-39-0

CAS: 1400591-39-0 Cat. No.: T161687 Molecular Weight: 576.55（anhy） PubChem CID: 5282468

GRADE & PURITY ≥98%(HPLC)

Synonyms

rac-tosufloxacin tosylate hydrate | BCP13549 | T-3262a | AKOS015914730 | Tosufloxacin Toluenesulfonate Hydrate | 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid hydrate | 7-(3-aminopyrrolidi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tosufloxacin (T-3262) is a fluoroquinolone antibiotic that is used to treat susceptible infections.

Application：

Tosufloxacin (tosylate hydrate) is a fluoroquinolone antibacterial agent. Tosufloxacin (tosylate hydrate) is effective against Gram-positive and Gram-negative aerobic bacteria, anaerobic bacteria and Chlamydia trachomatis. Tosufloxacin (tosylate hydrate) is also a bacterial Topo (DNA gyrase, topoisomerase)) inhibitor.

Specifications

Synonyms

rac-tosufloxacin tosylate hydrate | BCP13549 | T-3262a | AKOS015914730 | Tosufloxacin Toluenesulfonate Hydrate | 7-(3-aminopyrrolidin-1-yl)-1-(2, 4-difluorophenyl)-6-fluoro-4-oxo-1, 4-dihydro-1, 8-naphthyridine-3-carboxylic acid hydrate | 7-(3-aminopyrrolidi

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504763432
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763432
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O
• IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid;hydrate
• InChIKey: SSULTCPIIYRGFQ-UHFFFAOYSA-N
• INCHI: 1S/C19H15F3N4O3.C7H8O3S.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);1H2
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O
• RTECS: QN2791000
• PubChem CID: 5282468
• Molecular Weight: 576.55（anhy）
• Reaxy-Rn: 7617816

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridine carboxylic acids and derivatives
• Alternative Parents: Fluoroquinolones p-Methylbenzenesulfonates Tosyl compounds Pyridinecarboxylic acids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Dialkylarylamines Fluorobenzenes Aminopyridines and derivatives Imidolactams Aryl fluorides Vinylogous amides Organosulfonic acids Pyrrolidines Sulfonyls Heteroaromatic compounds Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organopnictogen compounds Organic oxides Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Naphthyridine carboxylic acid - Fluoroquinolone - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Dialkylarylamine - Aminopyridine - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Organic sulfonic acid or derivatives - Pyrrolidine - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.
• External Descriptors: racemate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 594.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 594.14 Da
• Monoisotopic Mass: 594.14 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 915.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3