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Tosufloxacin (hydrate)

CAT: 0804-HY-W799435-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W799435-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tosufloxacin (A-61827) tosylate is an orally active fluoroquinolone antibiotic. Tosufloxacin tosylate shows a broad spectrum of antibacterial activity against gram-positive and gram-negative bacteria[1][2].
CAS Number
107097-79-0
Product Name Alternative
A-61827 (hydrate)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/tosufloxacin-hydrate.html
Smiles
O=C(C1=CN(C2=CC=C(C=C2F)F)C3=NC(N4CCC(C4)N)=C(C=C3C1=O)F)O.O
Molecular Formula
C19H17F3N4O4
Molecular Weight
422.36
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Chu DT, et al. Synthesis and biological properties of A-71497: a prodrug of tosufloxacin. Drugs Exp Clin Res. 1990;16 (9) :435-43.|[2]Fujimaki K, et al. In vitro and in vivo antibacterial activities of T-3262, a new fluoroquinolone. Antimicrob Agents Chemother. 1988 Jun;32 (6) :827-33.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tosufloxacin Monohydrate

See also: Tosufloxacin (has active moiety).

CAS Number107097-79-0
PubChem CID44154493
IUPAC Name7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrate
Molecular FormulaC19H17F3N4O4
Molecular Weight422.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity708
SMILES
C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F.O
InChI
InChI=1S/C19H15F3N4O3.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;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);1H2
InChIKey
FCHGAGZTPICOSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tosufloxacin Monohydrate
CAS: 107097-79-0
CID: 44154493
Formula: C19H17F3N4O4
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass422.12018952
Monoisotopic Mass422.12018952
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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