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Substance Name: Ro 46-5471
RN: 153049-51-5
InChIKey: DAQXGPCMSTXZBM-BAKLMJQHSA-N

Note

  • A retinoic acid receptor alpha antagonist.

Molecular Formula

  • C27-H38-O5-S

Molecular Weight

  • 474.658
 
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Names and Synonyms

Name of Substance

  • Ro 46-5471

Synonyms

  • 7-(7-(Heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl)-3-methyl-2,4,6-octatrienoic acid (all-E)-
  • Ro-46-5471

Systematic Name

  • 2,4,6-Octatrienoic acid, 7-(7-(heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl)-3-methyl-, (all-E)-

Registry Numbers

CAS Registry Number

  • 153049-51-5

System Generated Number

  • 0153049515

Structure Descriptors

InChI

1S/C27H38O5S/c1-6-7-8-9-10-15-32-24-19-25-23(27(4,5)14-16-33(25,30)31)18-22(24)21(3)13-11-12-20(2)17-26(28)29/h11-13,17-19H,6-10,14-16H2,1-5H3,(H,28,29)/b12-11+,20-17+,21-13+

InChIKey

DAQXGPCMSTXZBM-BAKLMJQHSA-N

Smiles

c12C(CCS(c2cc(c(\C(=C\C=C\C(=C\C(=O)O)C)C)c1)OCCCCCCC)(=O)=O)(C)C