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Substance Name: ICI 79939
RN: 40666-03-3
InChIKey: CVJGVCBPOYDYKS-MXQFCOGCSA-N

Note

  • Prostaglandin F2-alpha analog.

Molecular Formula

  • C22-H29-F-O6

Molecular Weight

  • 408.4631
 
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Names and Synonyms

Name of Substance

  • ICI 79939

Synonym

  • ICI 79,939

Systematic Name

  • 5-Heptenoic acid, 7-(2-(4-(4-fluorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, (1alpha(Z),2beta(1E,3R*),3alpha,5alpha)-(+-)-

Registry Numbers

CAS Registry Number

  • 40666-03-3

Other Registry Numbers

  • 39389-53-2
  • 74992-43-1

System Generated Number

  • 0040666033

Structure Descriptors

InChI

1S/C22H29FO6/c23-15-7-10-17(11-8-15)29-14-16(24)9-12-19-18(20(25)13-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-12,16,18-21,24-26H,2,4-6,13-14H2,(H,27,28)/b3-1-,12-9+/t16-,18-,19-,20+,21-/m0/s1

InChIKey

CVJGVCBPOYDYKS-MXQFCOGCSA-N

Smiles

O[C@H](COc1ccc(F)cc1)\C=C\[C@@H]2[C@@H](O)C[C@@H](O)[C@H]2C\C=C/CCCC(=O)O