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Moxifloxacin Impurity 152

CAT: 1299-RM-M160352-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M160352-01Size:10 mg
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CAS Number
1262758-66-6
Synonyms
1-cyclopropyl-6-fluoro-7- ((4aS,7aS) -1-hydroxyoctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl) -8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Molecular Formula
C21H24FN3O5
Molecular Weight
417.44
Target Alternative Name
Moxifloxacin
Product Name Synonym
1-cyclopropyl-6-fluoro-7- ((4aS,7aS) -1-hydroxyoctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl) -8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-1-hydroxyoctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number1262758-66-6
PubChem CID151273419
IUPAC Name7-[(4aS,7aS)-1-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC21H24FN3O5
Molecular Weight417.4
XLogP0.6
Topological Polar Surface Area93.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity759
SMILES
COC1=C2C(=CC(=C1N3C[C@@H]4CCCN([C@@H]4C3)O)F)C(=O)C(=CN2C5CC5)C(=O)O
InChI
InChI=1S/C21H24FN3O5/c1-30-20-17-13(19(26)14(21(27)28)9-24(17)12-4-5-12)7-15(22)18(20)23-8-11-3-2-6-25(29)16(11)10-23/h7,9,11-12,16,29H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
InChIKey
NWVUOIQBKOVAPG-MEDUHNTESA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-7-((4aS,7aS)-1-hydroxyoctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS: 1262758-66-6
CID: 151273419
Formula: C21H24FN3O5
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass417.16999904
Monoisotopic Mass417.16999904
Topological Polar Surface Area93.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity759
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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