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Decarboxyl Ofloxacin

CAT: 0572-TRC-D215400-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D215400-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123155-82-8
Synonyms
(RS)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazin-7-one; Ofloxacin Imp. B (EP); Ofloxacin Impurity B
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C=CN1c24
Molecular Formula
C17 H20 F N3 O2
Molecular Weight
317.36
InChI
InChI=1S/C17H20FN3O2/c1-11-10-23-17-15-12(14(22)3-4-21(11)15)9-13(18)16(17)20-7-5-19(2)6-8-20/h3-4,9,11H,5-8,10H2,1-2H3
Additionnal Information
IUPAC name: (RS)-9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazin-7-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Decarboxyl ofloxacin
CAS Number123155-82-8
PubChem CID51056294
IUPAC Name7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one
Molecular FormulaC17H20FN3O2
Molecular Weight317.36
XLogP1.6
Topological Polar Surface Area36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity506
SMILES
CC1COC2=C3N1C=CC(=O)C3=CC(=C2N4CCN(CC4)C)F
InChI
InChI=1S/C17H20FN3O2/c1-11-10-23-17-15-12(14(22)3-4-21(11)15)9-13(18)16(17)20-7-5-19(2)6-8-20/h3-4,9,11H,5-8,10H2,1-2H3
InChIKey
XTLCAWXSWVQNHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decarboxyl ofloxacin
CAS: 123155-82-8
CID: 51056294
Formula: C17H20FN3O2
MW: 317.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.36
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass317.15395505
Monoisotopic Mass317.15395505
Topological Polar Surface Area36 Ų
Heavy Atom Count23
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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