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Ebselen

CAT: 0926-FE75162-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FE75162-01Size:50 mg
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CAS Number
60940-34-3
MDL Number
MFCD00210937
Smiles
C1=CC=C (C=C1) N2C (=O) C3=CC=CC=C3[Se]2
Molecular Formula
C13H9NOSe
Molecular Weight
274.18 g/mol
Controlled
No

Chemical Information

Ebselen

Ebselen is a benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, an anticoronaviral agent, a ferroptosis inhibitor, an EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor, an antioxidant, an antibacterial agent, an anti-inflammatory drug, an antineoplastic agent, an antifungal agent, a radical scavenger, a genotoxin, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a hepatoprotective agent, a neuroprotective agent, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an apoptosis inducer, an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor, an enzyme mimic, an EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor, an EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor, an EC 3.5.4.1 (cytosine deaminase) inhibitor and an EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor.

CAS Number60940-34-3
PubChem CID3194
IUPAC Name2-phenyl-1,2-benzoselenazol-3-one
Molecular FormulaC13H9NOSe
Molecular Weight274.19
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity275
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ebselen
CAS: 60940-34-3
CID: 3194
Formula: C13H9NOSe
MW: 274.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.19
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass274.98494
Monoisotopic Mass274.98494
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T0825-01Ebselen

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