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Moxifloxacin Impurity 183

CAT: 1299-RM-M160383-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M160383-01Size:10 mg
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CAS Number
1620445-12-6
Synonyms
1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7- (5-oxooctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl) -1,4-dihydroquinoline-3-carboxylic acid
Molecular Formula
C21H22FN3O5
Molecular Weight
415.42
Target Alternative Name
Moxifloxacin
Product Name Synonym
1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7- (5-oxooctahydro-6H-pyrrolo[3,4-b]pyridin-6-yl) -1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

Moxifloxacin Impurity 183
CAS Number1620445-12-6
PubChem CID177831840
IUPAC Name1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)quinoline-3-carboxylic acid
Molecular FormulaC21H22FN3O5
Molecular Weight415.4
XLogP-0.4
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity800
SMILES
COC1=C2C(=CC(=C1N3CC4C(C3=O)CCCN4)F)C(=O)C(=CN2C5CC5)C(=O)O
InChI
InChI=1S/C21H22FN3O5/c1-30-19-16-12(18(26)13(21(28)29)8-24(16)10-4-5-10)7-14(22)17(19)25-9-15-11(20(25)27)3-2-6-23-15/h7-8,10-11,15,23H,2-6,9H2,1H3,(H,28,29)
InChIKey
JBDTZOLTECXSJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Moxifloxacin Impurity 183
CAS: 1620445-12-6
CID: 177831840
Formula: C21H22FN3O5
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass415.15434897
Monoisotopic Mass415.15434897
Topological Polar Surface Area99.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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