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Linezolid-d3

CAT: 0804-HY-10394SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10394SSize:1 mg
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Description
Linezolid-d3 (PNU-100766-d3) is a deuterium labeled Linezolid (PNU-100766) . Linezolid is a synthetic antibiotic that acts by inhibiting the initiation of bacterial protein synthesis[1].
CAS Number
1127120-38-0
Product Name Alternative
PNU-100766-d3
UNSPSC
12352005
Hazard Statement
H302+H312+H332, H315, H319
Target
Antibiotic; Bacterial
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
99.90
Solubility
10 mM in DMSO|DMF : ≥ 10mg/mL|DMSO : ≥ 20mg/mL
Smiles
O=C(O[C@H]1CNC(C([2H])([2H])[2H])=O)N(C1)C2=CC(F)=C(N3CCOCC3)C=C2
Molecular Formula
C16H17D3FN3O4
Molecular Weight
340.36
Precautions
H302+H312+H332, H315, H319
References & Citations
[1]Perry CM, Jarvis B. Linezolid: a review of its use in the management of serious gram-positive infections. Drugs. 2001;61 (4) :525-51.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

N-(((5S)-3-(3-Fluoro-4-(morpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)(~2~H_3_)acetamide
CAS Number1127120-38-0
PubChem CID25217322
IUPAC Name2,2,2-trideuterio-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Molecular FormulaC16H20FN3O4
Molecular Weight340.36
XLogP0.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity472
SMILES
[2H]C([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
InChI
InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1/i1D3
InChIKey
TYZROVQLWOKYKF-FUPFOCIHSA-N
Chemical Structure
2D Structure
2D structure of N-(((5S)-3-(3-Fluoro-4-(morpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)(~2~H_3_)acetamide
CAS: 1127120-38-0
CID: 25217322
Formula: C16H20FN3O4
MW: 340.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.36
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass340.16261453
Monoisotopic Mass340.16261453
Topological Polar Surface Area71.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity472
Isotope Atom Count3
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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