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Zabofloxacin

CAT: 0926-UIA68011-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-UIA68011-01Size:1 mg
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CAS Number
219680-11-2
MDL Number
MFCD18633297
Smiles
CON=C1CN (CC12CNC2) C3=C (C=C4C (=O) C (=CN (C4=N3) C5CC5) C (=O) O) F
Molecular Formula
C19H20FN5O4
Molecular Weight
401.4 g/mol
Controlled
No

Chemical Information

Zabofloxacin

Zabofloxacin has been used in trials studying the treatment of Community Acquired Pneumonia and Chronic Obstructive Pulmonary Disease.

CAS Number219680-11-2
PubChem CID54556623
IUPAC Name1-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular FormulaC19H20FN5O4
Molecular Weight401.4
XLogP-0.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity793
SMILES
CON=C1CN(CC12CNC2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F
InChI
InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)
InChIKey
ZNPOCLHDJCAZAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zabofloxacin
CAS: 219680-11-2
CID: 54556623
Formula: C19H20FN5O4
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass401.14993230
Monoisotopic Mass401.14993230
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity793
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T13406-01Zabofloxacin
A20246-100Zabofloxacin 100mg
HY-106410A-01Zabofloxacin (hydrochloride)
MBS5767897-01Zabofloxacin hydrochloride
A20246-50Zabofloxacin 50mg
A20246-5Zabofloxacin 5mg
A20246-25Zabofloxacin 25mg
A20246-10Zabofloxacin 10mg
A20246-1Zabofloxacin 1mg
A21901-50Zabofloxacin hydrochloride 50mg

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