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Inotilone

Inotilone structure

Inotilone 

structure
  • CAS No:

    906366-79-8

  • Formula:

    C12H10O4

  • Chemical Name:

    Inotilone

  • Synonyms:

    3(2H)-Furanone,2-[(3,4-dihydroxyphenyl)methylene]-5-methyl-,(2Z)-;(2Z)-2-[(3,4-Dihydroxyphenyl)methylene]-5-methyl-3(2H)-furanone;Inotilone

  • Categories:

    Organic Chemistry  >  Lactones

Inotilone Basic Attributes

218.21

218.21

618-603-8

DTXSID50694099

Characteristics

66.76000

1.94180

1.433±0.06 g/cm3

177.4 °C

491.9±45.0 °C(Predicted)

8.58±0.35

Drug Information

inotilone

Inotilone Use and Manufacturing

A potent COX-2 inhibitor. Inotilone is used for treating degenerative conditions from overexpression of iNOS.

Computed Properties

Molecular Weight:218.20
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:218.05790880
Monoisotopic Mass:218.05790880
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:356
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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