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Trovafloxacin

CAT: 0572-TRC-T892760-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T892760-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147059-72-1
Synonyms
7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-1,8-naphthyridine-3-carboxylic Acid; Turvel; 3-Azabicyclo[3.1.0]hexane, 1,8-naphthyridine-3-carboxylic acid derivative; 7-[(1alpha,5alpha,6alpha)-6-Amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic Acid
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN1759; Packing Group: III
Purity
>95% (HPLC)
Smiles
N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F
Molecular Formula
C20H15F3N4O3
Molecular Weight
402.37
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,8-Naphthyridine-3-carboxylic acid, 7-(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-

Trovafloxacin is a 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. It has a role as an antimicrobial agent, an antibacterial drug, a hepatotoxic agent, a topoisomerase IV inhibitor and a DNA synthesis inhibitor. It is a monocarboxylic acid, an amino acid, an azabicycloalkane, a difluorobenzene, a primary amino compound, a tertiary amino compound, a 1,8-naphthyridine derivative, a quinolone antibiotic and a fluoroquinolone antibiotic. It is a conjugate base of a trovafloxacin(1+).

CAS Number147059-72-1
PubChem CID62959
IUPAC Name7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular FormulaC20H15F3N4O3
Molecular Weight416.4
XLogP0.3
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity770
SMILES
C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F
InChI
InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?
InChIKey
WVPSKSLAZQPAKQ-SOSAQKQKSA-N
Chemical Structure
2D Structure
2D structure of 1,8-Naphthyridine-3-carboxylic acid, 7-(1alpha,5alpha,6alpha)-6-amino-3-azabicyclo3.1.0hex-3-yl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-
CAS: 147059-72-1
CID: 62959
Formula: C20H15F3N4O3
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass416.10962484
Monoisotopic Mass416.10962484
Topological Polar Surface Area99.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-A0170-01Trovafloxacin
T13231L-01Trovafloxacin mesylate
HY-103399-01Trovafloxacin (mesylate)
HY-A0170RTrovafloxacin (Standard)

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