Coumarin 487

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Coumarin 487

Coumarin 487

Catalog Number A17-0046
Category Laser Dyes
Molecular Formula C19H23NO2
Molecular Weight 297.397
Catalog Number Size Price Quantity
A17-0046 -- $--

Product Introduction

Coumarin 487 is a biopharmaceutical compound with anti-inflammatory and analgesic properties. Coumarin 487 is of importance due to its powerful ability to act as an inhibitor of the harmful cyclooxygenase-2 (COX-2).

Chemical Information

IUPAC Name 6-tert-butyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Canonical SMILES CC(C)(C)C1=CC(=O)OC2=C1C=C3CCCN4C3=C2CCC4
InChI InChI=1S/C19H23NO2/c1-19(2,3)15-11-16(21)22-18-13-7-5-9-20-8-4-6-12(17(13)20)10-14(15)18/h10-11H,4-9H2,1-3H3
InChI Key TXHMFSKQDJJITA-UHFFFAOYSA-N
  • Product Specification
Excitation 500
Emission 522

Computed Properties

XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 297.172878976 g/mol
Monoisotopic Mass 297.172878976 g/mol
Topological Polar Surface Area 29.5Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 504
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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