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Ofloxacin-d8

CAT: 0572-TRC-O245752-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O245752-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219170-21-4
Synonyms
9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid; Ofloxacin-D8 (piperazinyl-2,2,3,3,5,5,6,6-D8); Ofloxacin-d8
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])N(C)C([2H])([2H])C([2H])([2H])N(c2c(F)cc3C(=O)C(=CN4C(C)COc2c34)C(=O)O)C1([2H])[2H]
Molecular Formula
C18 2H8 H12 F N3 O4
Molecular Weight
369.42
InChI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/i3D2,4D2,5D2,6D2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ofloxacin-d8
CAS Number1219170-21-4
PubChem CID46782612
IUPAC Name7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC18H20FN3O4
Molecular Weight369.4
XLogP-0.4
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity634
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=C(C=C3C4=C2OCC(N4C=C(C3=O)C(=O)O)C)F)([2H])[2H])[2H]
InChI
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/i3D2,4D2,5D2,6D2
InChIKey
GSDSWSVVBLHKDQ-SQUIKQQTSA-N
Chemical Structure
2D Structure
2D structure of Ofloxacin-d8
CAS: 1219170-21-4
CID: 46782612
Formula: C18H20FN3O4
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass369.19399826
Monoisotopic Mass369.19399826
Topological Polar Surface Area73.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity634
Isotope Atom Count8
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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