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Moxifloxacin Ethyl Ester

CAT: 1596-AR-M02339-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02339-01Size:10 Units
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CAS Number
1403836-23-6
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[ (4aS,7aS) -octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic Acid Ethyl Ester; ethyl 1-Cyclopropyl-6-fluoro-7- ((4aS,7aS) -hexahydro-1H-pyrrolo[3,4-b]pyridin-6 (2H) -yl) -8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate; Moxifloxacin Ethyl Ester
Molecular Formula
C23H28FN3O4
Molecular Weight
429.49
API Name
Moxifloxacin

Chemical Information

Moxifloxacin Ethyl Ester
CAS Number1403836-23-6
PubChem CID129318725
IUPAC Nameethyl 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
Molecular FormulaC23H28FN3O4
Molecular Weight429.5
XLogP3
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity757
SMILES
CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3C[C@@H]4CCCN[C@@H]4C3)OC)C5CC5
InChI
InChI=1S/C23H28FN3O4/c1-3-31-23(29)16-11-27(14-6-7-14)19-15(21(16)28)9-17(24)20(22(19)30-2)26-10-13-5-4-8-25-18(13)12-26/h9,11,13-14,18,25H,3-8,10,12H2,1-2H3/t13-,18+/m0/s1
InChIKey
BETGKPGVVKFWTH-SCLBCKFNSA-N
Chemical Structure
2D Structure
2D structure of Moxifloxacin Ethyl Ester
CAS: 1403836-23-6
CID: 129318725
Formula: C23H28FN3O4
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass429.20638455
Monoisotopic Mass429.20638455
Topological Polar Surface Area71.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity757
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