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Substance Name: Cobiprostone [USAN:INN]
RN: 333963-42-1
UNII: IL870Q3Z8I
InChIKey: SDDSJMXGJNWMJY-BRHAQHMBSA-N

Note

  • A ClC-2 chloride channel agonist.

Classification Code

  • Treatment of Gastrointestinal Disorders

Molecular Formula

  • C21-H34-F2-O5

Molecular Weight

  • 404.4906
 
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Names and Synonyms

Name of Substance

  • Cobiprostone [USAN:INN]

Synonyms

  • Cobiprostone
  • Cyclopenta(b)pyran-5-heptanoic acid, 2-((3S)-1,1-difluoro-3-methylpentyl)octahydro-2-hydroxy-6-oxo-, (2R,4aR,5R,7aR)-
  • SPI 8811
  • SPI-8811
  • UNII-IL870Q3Z8I

Systematic Name

  • 7-((2R,4aR,5R,7aR)-2-((3S)-1,1-Difluoro-3-methylpentyl)-2-hydroxy-6- oxooctahydrocyclopenta(b)pyran-5-yl)heptanoic acid

Registry Numbers

CAS Registry Number

  • 333963-42-1

FDA UNII

  • IL870Q3Z8I

System Generated Number

  • 0333963421

Structure Descriptors

InChI

1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1

InChIKey

SDDSJMXGJNWMJY-BRHAQHMBSA-N

Smiles

O1[C@](CC[C@H]2[C@H]1CC(=O)[C@@H]2CCCCCCC(=O)O)([C@](C[C@H](CC)C)(F)F)O