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Substance Name: 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-
RN: 59619-78-2
InChIKey: HABBPJCMMSFYJB-LJJGBDBMSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C25-H34-O7

Molecular Weight

  • 446.537
 
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Names and Synonyms

Synonyms

  • 15-Deoxy-15,15-ethylenedioxy-16-phenoxy-17,18,19,20-tetranor-pgf2-alpha methyl ester
  • BRN 1275245
  • C 59
  • ZK 56440

Systematic Name

  • 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-

Registry Numbers

CAS Registry Number

  • 59619-78-2

System Generated Number

  • 0059619782

Structure Descriptors

InChI

1S/C25H34O7/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)13-14-25(31-15-16-32-25)18-30-19-9-5-4-6-10-19/h2,4-7,9-10,13-14,20-23,26-27H,3,8,11-12,15-18H2,1H3/b7-2-,14-13+/t20?,21-,22?,23?/m1/s1

InChIKey

HABBPJCMMSFYJB-LJJGBDBMSA-N

Smiles

C1(\C=C\[C@@H]2[C@@H]([C@@H](O)C[C@@H]2O)C\C=C/CCCC(OC)=O)(COc2ccccc2)OCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0524345,