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1219708-30-1 molecular structure
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N-{[(5S)-3-{3-fluoro-4-[(2-hydroxyethyl)amino]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

ChemBase ID: 166225
Molecular Formular: C14H18FN3O4
Molecular Mass: 311.3088232
Monoisotopic Mass: 311.12813429
SMILES and InChIs

SMILES:
OCCNc1c(cc(cc1)N1C[C@@H](OC1=O)CNC(=O)C)F
Canonical SMILES:
OCCNc1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C
InChI:
InChI=1S/C14H18FN3O4/c1-9(20)17-7-11-8-18(14(21)22-11)10-2-3-13(12(15)6-10)16-4-5-19/h2-3,6,11,16,19H,4-5,7-8H2,1H3,(H,17,20)/t11-/m0/s1
InChIKey:
FPAKSIHCULOSLI-NSHDSACASA-N

Cite this record

CBID:166225 http://www.chembase.cn/molecule-166225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[(5S)-3-{3-fluoro-4-[(2-hydroxyethyl)amino]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
IUPAC Traditional name
N-{[(5S)-3-{3-fluoro-4-[(2-hydroxyethyl)amino]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
Synonyms
N-[[(5S)-3-[3-Fluoro-4-[(2-hydroxyethyl)amino]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
N,O-Desethylene Linezolid
CAS Number
1219708-30-1
PubChem SID
162260358
PubChem CID
15433046

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D289360 external link Add to cart
PubChem 15433046 external link
Data Source Data ID Price
TRC
D289360 external link Add to cart Please log in.
Data Source Data ID
PubChem 15433046 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.490752  H Acceptors
H Donor LogD (pH = 5.5) -0.47055057 
LogD (pH = 7.4) -0.47020805  Log P -0.47020364 
Molar Refractivity 77.4578 cm3 Polarizability 29.022427 Å3
Polar Surface Area 90.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D289360 external link
N,O-Desethylene Linezolid is a potential drug metabolite of Linezolid (L466500) used as an antibiotic. N,O-Desethylene Linezolid was identified as Linezolid impurity.

REFERENCES

REFERENCES

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  • • Francois, G., et al.: Antimicrob. Agents Chemother., 41, 2533 (1997)
  • • Slatter, J., et al.: Drug Metab. Dispos., 29, 1136 (1997)
  • • Kapkova, P., et al.: J. Med. Chem., 48, 7496 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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