Ebselen Oxide - ≥98% , CAS No.104473-83-8

CAS: 104473-83-8 Cat. No.: E344603 Molecular Weight: 290.18 EC Number: 802-451-6

GRADE & PURITY ≥98%

Synonyms

NSC639772 | NSC-639772 | 1-oxo-2-phenyl-1lambda4,2-benzoselenazol-3-one | Ebselen Oxide | 1,2-Benzisoselenazole-1,3-dione, 2-phenyl | NSC 639772 | DTXSID10327255 | 1-Oxide-2-phenyl-1,2-benzisoselenazol-3(2H)-one | J-001178 | 2-Phenylbenzo[d][1,2]selenazol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ebselen Oxide is used for the treatment of cerebral infarctions and is an excellent scavenger of peroxynitrite. Ebselen oxide, formed by the oxidation of ebselen, lacks antioxidant activity, which indicats that it can serve as a negative control for Ebselen. Ebselen Oxide is an inhibitor of P504S.

Specifications

Synonyms

NSC639772 | NSC-639772 | 1-oxo-2-phenyl-1lambda4, 2-benzoselenazol-3-one | Ebselen Oxide | 1, 2-Benzisoselenazole-1, 3-dione, 2-phenyl | NSC 639772 | DTXSID10327255 | 1-Oxide-2-phenyl-1, 2-benzisoselenazol-3(2H)-one | J-001178 | 2-Phenylbenzo[d][1, 2]selenazol

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758596
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758596
• Canonical Smiles: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2=O
• IUPAC Name: 1-oxo-2-phenyl-1λ4,2-benzoselenazol-3-one
• InChIKey: SBTLFLABILGUMK-UHFFFAOYSA-N
• INCHI: 1S/C13H9NO2Se/c15-13-11-8-4-5-9-12(11)17(16)14(13)10-6-2-1-3-7-10/h1-9H
• Isomeric SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2=O
• Molecular Weight: 290.18
• Reaxy-Rn: 5014224
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5014224&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Seleninyl compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Monocyclic benzene moiety - Azacycle - Organoheterocyclic compound - Seleninyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organoselenium compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Solubility: Soluble in PBS (pH 7.2) (~0.15 mg/mL), ethanol (10 mg/mL), DMSO (10 mg/mL), and DMF (10 mg/mL).
• Boil Point(°C): 277.25° C at 760 mmHg (Predicted)
• Melt Point(°C): 156.71° C (Predicted)(Mean or Weighted MP)
• Molecular Weight: 290.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 290.98 Da
• Monoisotopic Mass: 290.98 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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