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Moxifloxacin EP Impurity E HCl

CAT: 1596-AR-M02320-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02320-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2252446-71-0
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[ (4aS,7aS) -octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic Acid Hydrobromide; Moxifloxacin Imp. E (EP/BP) as HBr salt;8-Hydroxy Moxifloxacin Hydrobromide
Molecular Formula
C20H22FN3O4. HCl
Molecular Weight
387.41 36.46
API Name
Moxifloxacin

Chemical Information

1-Cyclopropyl-6-fluoro-8-hydroxy-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
CAS Number2252446-71-0
PubChem CID168443672
IUPAC Name7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
Molecular FormulaC20H23ClFN3O4
Molecular Weight423.9
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity712
SMILES
C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3O)N(C=C(C4=O)C(=O)O)C5CC5)F.Cl
InChI
InChI=1S/C20H22FN3O4.ClH/c21-14-6-12-16(24(11-3-4-11)8-13(18(12)25)20(27)28)19(26)17(14)23-7-10-2-1-5-22-15(10)9-23;/h6,8,10-11,15,22,26H,1-5,7,9H2,(H,27,28);1H/t10-,15+;/m0./s1
InChIKey
KSTSABWVSGZKEW-OEQYQXMYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-8-hydroxy-7-((4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
CAS: 2252446-71-0
CID: 168443672
Formula: C20H23ClFN3O4
MW: 423.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass423.1361121
Monoisotopic Mass423.1361121
Topological Polar Surface Area93.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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