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Substance Name: Docebenone [USAN:INN]
RN: 80809-81-0
UNII: 2XRX3BD53M
InChIKey: WDEABJKSGGRCQA-UHFFFAOYSA-N

Classification Codes

  • Enzyme Inhibitors
  • Inhibitor (5-lipoxygenase)
  • Lipoxygenase Inhibitors

Molecular Formula

  • C21-H26-O3

Molecular Weight

  • 326.4334
 
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Names and Synonyms

Name of Substance

  • 2,3,5-Trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone
  • Docebenone [USAN:INN]

Synonyms

  • 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone
  • A 61589
  • A-61589
  • AA-861
  • Docebenona
  • Docebenona [INN-Spanish]
  • Docebenone
  • Docebenonum
  • Docebenonum [INN-Latin]
  • UNII-2XRX3BD53M

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 80809-81-0

FDA UNII

  • 2XRX3BD53M

System Generated Number

  • 0080809810

Structure Descriptors

InChI

1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3

InChIKey

WDEABJKSGGRCQA-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C