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CP 99433

CAT: 0013-GTR19194975-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194975-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP 99433 is a novel C-7 diazabicyclofluoroquinolone antibiotic exhibiting a broad spectrum of antibacterial activity. It is a research tool for studying antimicrobial efficacy against Enterobacteriaceae, Gram-positive cocci, and nonenteric Gram-negative bacilli in both in vitro and in vivo experimental models.
CAS Number
147059-71-0
Smiles
O=C1C=2C (N (C=C1C (O) =O) C3CC3) =NC (=C (F) C2) N4C[C@]5 ([C@@] (C4) ([C@@H]5N) [H]) [H]
Molecular Formula
C17H17FN4O3
Molecular Weight
344.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trovafloxacin4
CAS Number147059-71-0
PubChem CID9928085
IUPAC Name7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular FormulaC17H17FN4O3
Molecular Weight344.34
XLogP-0.9
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity654
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)N4C[C@@H]5[C@H](C4)C5N)F)C(=O)O
InChI
InChI=1S/C17H17FN4O3/c18-12-3-8-14(23)11(17(24)25)6-22(7-1-2-7)15(8)20-16(12)21-4-9-10(5-21)13(9)19/h3,6-7,9-10,13H,1-2,4-5,19H2,(H,24,25)/t9-,10+,13?
InChIKey
HPQJHUNCWWNOJL-HWYHXSKPSA-N
Chemical Structure
2D Structure
2D structure of Trovafloxacin4
CAS: 147059-71-0
CID: 9928085
Formula: C17H17FN4O3
MW: 344.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.34
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass344.12846858
Monoisotopic Mass344.12846858
Topological Polar Surface Area99.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity654
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

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