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MRX343

CAT: 0804-HY-45826-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-45826-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MRX343 is a metabolite of MRX-I.
CAS Number
1112968-16-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Infection; Inflammation/Immunology
Purity
98.37
Smiles
O=C1CCN(C2=C(F)C=C(N3C(O[C@@H](CO)C3)=O)C(F)=C2F)C=C1
Molecular Formula
C15H13F3N2O4
Molecular Weight
342.27
Precautions
H302, H315, H319, H335
References & Citations
[1]Meng J, et al. Metabolism of MRX-I, a novel antibacterial oxazolidinone, in humans: the oxidative ring opening of 2,3-Dihydropyridin-4-one catalyzed by non-P450 enzymes. Drug Metab Dispos. 2015;43 (5) :646-659.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(R)-5-(Hydroxymethyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)phenyl)oxazolidin-2-one
CAS Number1112968-16-7
PubChem CID25184463
IUPAC Name(5R)-5-(hydroxymethyl)-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27
XLogP0.9
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity547
SMILES
C1CN(C=CC1=O)C2=C(C=C(C(=C2F)F)N3C[C@@H](OC3=O)CO)F
InChI
InChI=1S/C15H13F3N2O4/c16-10-5-11(20-6-9(7-21)24-15(20)23)12(17)13(18)14(10)19-3-1-8(22)2-4-19/h1,3,5,9,21H,2,4,6-7H2/t9-/m1/s1
InChIKey
PQYCYMNPZGRPTE-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (R)-5-(Hydroxymethyl)-3-(2,3,5-trifluoro-4-(4-oxo-3,4-dihydropyridin-1(2H)-yl)phenyl)oxazolidin-2-one
CAS: 1112968-16-7
CID: 25184463
Formula: C15H13F3N2O4
MW: 342.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.27
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass342.08274139
Monoisotopic Mass342.08274139
Topological Polar Surface Area70.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
PC111731MRX343

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