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Sparfloxacin Impurity 16

CAT: 1596-AR-S10701-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S10701-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110871-99-3
Molecular Formula
C25H26F2N4O3
Molecular Weight
468.50
API Name
Sparfloxacin

Chemical Information

5-Benzylamino-1-cyclopropyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
CAS Number110871-99-3
PubChem CID14664172
IUPAC Name5-(benzylamino)-1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC25H26F2N4O3
Molecular Weight468.5
XLogP1.9
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity808
SMILES
CN1CCN(CC1)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)NCC5=CC=CC=C5)F
InChI
InChI=1S/C25H26F2N4O3/c1-29-9-11-30(12-10-29)23-19(26)21(28-13-15-5-3-2-4-6-15)18-22(20(23)27)31(16-7-8-16)14-17(24(18)32)25(33)34/h2-6,14,16,28H,7-13H2,1H3,(H,33,34)
InChIKey
JWODVZFUVVPZEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Benzylamino-1-cyclopropyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
CAS: 110871-99-3
CID: 14664172
Formula: C25H26F2N4O3
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass468.19729703
Monoisotopic Mass468.19729703
Topological Polar Surface Area76.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity808
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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