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Ulifloxacin Acyl Glucuronide

CAT: 1596-AR-U01007-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01007-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
172040-93-6
Synonyms
(2S,3S,4S,5R,6S) -6- ((6-fluoro-1-methyl-4-oxo-7- (piperazin-1-yl) -1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carbonyl) oxy) -3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; Ulifloxacin Acyl-?-D-glucuronide
Molecular Formula
C22H26FN3O9S
Molecular Weight
527.53
API Name
Ulifloxacin

Chemical Information

Ulifloxacin Acyl-beta-D-glucuronide
CAS Number172040-93-6
PubChem CID71752882
IUPAC Name(2S,3S,4S,5R,6S)-6-(6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC22H24FN3O9S
Molecular Weight525.5
XLogP-1.8
Topological Polar Surface Area194
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity963
SMILES
CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)N5CCNCC5
InChI
InChI=1S/C22H24FN3O9S/c1-8-26-11-7-12(25-4-2-24-3-5-25)10(23)6-9(11)14(27)13(19(26)36-8)21(33)35-22-17(30)15(28)16(29)18(34-22)20(31)32/h6-8,15-18,22,24,28-30H,2-5H2,1H3,(H,31,32)/t8?,15-,16-,17+,18-,22-/m0/s1
InChIKey
UBVMKQULGWERHE-CZMFQLTOSA-N
Chemical Structure
2D Structure
2D structure of Ulifloxacin Acyl-beta-D-glucuronide
CAS: 172040-93-6
CID: 71752882
Formula: C22H24FN3O9S
MW: 525.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.5
XLogP3-1.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass525.12172869
Monoisotopic Mass525.12172869
Topological Polar Surface Area194 Ų
Heavy Atom Count36
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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