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Demethyl linezolid

CAT: 0013-GTR19190279Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190279Size:25 mg
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Description
Demethyl linezolid is a pharmacologically active metabolite and impurity of the antibiotic linezolid. It serves as a key reference standard in antimicrobial research, facilitating in vitro studies of bacterial resistance mechanisms and pharmacokinetic investigations.
CAS Number
168828-65-7
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
Fc1cc (ccc1N1CCOCC1) N1C[C@H] (CNC=O) OC1=O
Molecular Formula
C15H18FN3O4
Molecular Weight
323.324
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Demethyl linezolid
CAS Number168828-65-7
PubChem CID56650013
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
Molecular FormulaC15H18FN3O4
Molecular Weight323.32
XLogP0.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity433
SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC=O)F
InChI
InChI=1S/C15H18FN3O4/c16-13-7-11(1-2-14(13)18-3-5-22-6-4-18)19-9-12(8-17-10-20)23-15(19)21/h1-2,7,10,12H,3-6,8-9H2,(H,17,20)/t12-/m0/s1
InChIKey
MRSLZIUXFOCEPP-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Demethyl linezolid
CAS: 168828-65-7
CID: 56650013
Formula: C15H18FN3O4
MW: 323.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.32
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass323.12813423
Monoisotopic Mass323.12813423
Topological Polar Surface Area71.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity433
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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