(R)-5-(Azidomethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone - ≥97% , CAS No.168828-84-0

CAS: 168828-84-0 Cat. No.: D189046 Molecular Weight: 321.31 EC Number: 801-918-1

GRADE & PURITY ≥97%

Synonyms

168828-84-0|(R)-5-(AZIDOMETHYL)-3-[3-FLUORO-4-(4-MORPHOLINYL)PHENYL]-2-OXAZOLIDINONE|Deacetamide Linezolid Azide|RK3Z2B8JFW|(5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one|(5R)-5-(Azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phe

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia. For further information and support please go to the website of the issuing Pharmacopoeia.

Specifications

Synonyms

168828-84-0 | (R)-5-(AZIDOMETHYL)-3-[3-FLUORO-4-(4-MORPHOLINYL)PHENYL]-2-OXAZOLIDINONE | Deacetamide Linezolid Azide | RK3Z2B8JFW | (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1, 3-oxazolidin-2-one | (5R)-5-(Azidomethyl)-3-(3-fluoro-4-(4-morpholinyl)phe

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765512
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765512
• Canonical Smiles: C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CN=[N+]=[N-])F
• IUPAC Name: (5R)-5-(azidomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
• InChIKey: FQUBFDDPWLBKIZ-NSHDSACASA-N
• INCHI: 1S/C14H16FN5O3/c15-12-7-10(1-2-13(12)19-3-5-22-6-4-19)20-9-11(8-17-18-16)23-14(20)21/h1-2,7,11H,3-6,8-9H2/t11-/m0/s1
• Isomeric SMILES: C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN=[N+]=[N-])F
• Molecular Weight: 321.31
• Reaxy-Rn: 9419893
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9419893&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Aniline and substituted anilines Dialkylarylamines Fluorobenzenes Oxazolidinones Aryl fluorides Carbamate esters Azo compounds Azo imides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic salts Carbonyl compounds Organic zwitterions Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxazolidinone - Oxazolidine - Carbamic acid ester - Azo compound - Azo imide - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organohalogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Enterobacter cloacae (7976 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 321.310 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 321.124 Da
• Monoisotopic Mass: 321.124 Da
• Topological Polar Surface Area: 56.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 481.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1