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ABT-492 100mg

CAT: 0628-A10023-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A10023-100Size:100 mg
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CAS Number
189279-58-1

Chemical Information

Delafloxacin

Delafloxacin is a fluoroquinolone antibiotic which has been used in trials studying the treatment and basic science of Gonorrhea, Hepatic Impairment, Bacterial Skin Diseases, Skin Structure Infections, and Community Acquired Pneumonia, among others. It was approved in June 2017 under the trade name Baxdela for use in the treatment of acute bacterial skin and skin structure infections.

CAS Number189279-58-1
PubChem CID487101
IUPAC Name1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC18H12ClF3N4O4
Molecular Weight440.8
XLogP2.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity755
SMILES
C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
InChI
InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)
InChIKey
DYDCPNMLZGFQTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Delafloxacin
CAS: 189279-58-1
CID: 487101
Formula: C18H12ClF3N4O4
MW: 440.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.8
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass440.0499171
Monoisotopic Mass440.0499171
Topological Polar Surface Area120 Ų
Heavy Atom Count30
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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