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Substance Name: ICI-79939, (1R,2R,3R,5S)-(3'S)-
RN: 40666-04-4
UNII: H0E32V45MQ
InChIKey: CVJGVCBPOYDYKS-GQQOSRFTSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C22-H29-F-O6

Molecular Weight

  • 408.4631
 
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Names and Synonyms

Name of Substance

  • ICI-79939, (1R,2R,3R,5S)-(3'S)-

Synonym

  • UNII-H0E32V45MQ

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 40666-04-4

FDA UNII

  • H0E32V45MQ

System Generated Number

  • 0040666044

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-GQQOSRFTSA-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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 100ug/kg (0.1mg/kg)   Prostaglandins. Vol. 10, Pg. 5, 1975.