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Marbofloxacin-d8

CAT: 0804-HY-B0126SSize: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0126SSize:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Marbofloxacin-d8 is the deuterium labeled Marbofloxacin. Marbofloxacin is a third generation fluoroquinolone and orally active antimicrobial agent, which has a broad spectrum bactericidal activity and good efficacy. Marbofloxacin can be used for the research of infections by Gram-positive and Gram-negative bacteria and Mycoplasma[1][2][3].
CAS Number
1185053-37-5
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
O=C1C2=CC(F)=C(N3C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C3([2H])[2H])C)C4=C2N(C=C1C(O)=O)N(C)CO4
Molecular Formula
C17H11D8FN4O4
Molecular Weight
370.40
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Shen J, et al. Marbofloxacin. Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68 (Pt 4) :o998-9.|[3]Voermans M, et al. Clinical efficacy of intravenous administration of marbofloxacin in a Staphylococcus aureus infection in tissue cages in ponies. J Vet Pharmacol Ther. 2006 Dec;29 (6) :555-60.|[4]Bousquet-Melou A, et al. Pharmacokinetics of marbofloxacin in horses. Equine Vet J. 2002 Jul;34 (4) :366-72.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Marbofloxacin-d8
CAS Number1185053-37-5
PubChem CID46782103
IUPAC Name7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular FormulaC17H19FN4O4
Molecular Weight370.40
XLogP-0.5
Topological Polar Surface Area76.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity636
SMILES
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F)([2H])[2H])[2H]
InChI
InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)/i3D2,4D2,5D2,6D2
InChIKey
BPFYOAJNDMUVBL-SQUIKQQTSA-N
Chemical Structure
2D Structure
2D structure of Marbofloxacin-d8
CAS: 1185053-37-5
CID: 46782103
Formula: C17H19FN4O4
MW: 370.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.40
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass370.18924723
Monoisotopic Mass370.18924723
Topological Polar Surface Area76.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity636
Isotope Atom Count8
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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