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Olaquindox-d4

CAT: 0804-HY-N0465SSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0465SSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Olaquindox-d4 is the deuterium labeled Olaquindox. Olaquindox, a quinoxalin derivative, is an orally active antibiotic. Olaquindox stimulates growth and decreases intestinal mucosal immunity of piglets[2].
CAS Number
1189487-82-8
UNSPSC
12352005
Hazard Statement
H302, H334
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
O=C(C1=C(C)[N+]([O-])=C2C=CC=CC2=[N+]1[O-])NC([2H])([2H])C([2H])([2H])O
Molecular Formula
C12H9D4N3O4
Molecular Weight
267.27
Precautions
H302, H334
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Olaquindox-d4
CAS Number1189487-82-8
PubChem CID46782628
IUPAC Name3-methyl-4-oxido-1-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)quinoxalin-1-ium-2-carboxamide
Molecular FormulaC12H13N3O4
Molecular Weight267.27
XLogP-0.2
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity421
SMILES
[2H]C([2H])(C([2H])([2H])O)NC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C
InChI
InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)/i6D2,7D2
InChIKey
TURHTASYUMWZCC-KXGHAPEVSA-N
Chemical Structure
2D Structure
2D structure of Olaquindox-d4
CAS: 1189487-82-8
CID: 46782628
Formula: C12H13N3O4
MW: 267.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.27
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass267.11571289
Monoisotopic Mass267.11571289
Topological Polar Surface Area95.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity421
Isotope Atom Count4
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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