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Ulifloxacin-d8

CAT: 0804-HY-108279S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108279S-01Size:5 mg
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Description
Ulifloxacin-d8 is the deuterium labeled Ulifloxacin[1].
CAS Number
1246820-95-0
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CC1N2C=3C(C(=O)C(C(O)=O)=C2S1)=CC(F)=C(C3)N4C(C(NC(C4([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Molecular Formula
C16H8D8FN3O3S
Molecular Weight
357.43
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ulifloxacin-d8
CAS Number1246820-95-0
PubChem CID71752881
IUPAC Name6-fluoro-1-methyl-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
Molecular FormulaC16H16FN3O3S
Molecular Weight357.4
XLogP0.3
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity607
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=C(C=C3C(=C2)N4C(SC4=C(C3=O)C(=O)O)C)F)([2H])[2H])[2H]
InChI
InChI=1S/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)/i2D2,3D2,4D2,5D2
InChIKey
SUXQDLLXIBLQHW-UDCOFZOWSA-N
Chemical Structure
2D Structure
2D structure of Ulifloxacin-d8
CAS: 1246820-95-0
CID: 71752881
Formula: C16H16FN3O3S
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass357.13985468
Monoisotopic Mass357.13985468
Topological Polar Surface Area98.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity607
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