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Substance Name: TY 10957
RN: 117028-28-1
InChIKey: MYKBQVAHYUHFQI-ANAHPKEFSA-N

Note

  • Stable PGI2 analog.

Molecular Weight

  • 430.538
 
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Names and Synonyms

Name of Substance

  • TY 10957

Synonyms

  • 3-(3-Oxa-4-carboxybutyl)-7-exo-(3-hydroxy-4-methyl-4-phenoxy-1-pentenyl)-8-endo-hydroxybicyclo(4.3.0)non-2-ene
  • TY-10957

Systematic Name

  • Acetic acid, (2-(2,3,3a,6,7,7a-hexahydro-2-hydroxy-1-(3-hydroxy-4-methyl-4-phenoxy-1-pentenyl)-1H-inden-5-yl)ethoxy)-, (1alpha(1E,3R*),2beta,3aalpha,7aalpha)-

Registry Numbers

CAS Registry Number

  • 117028-28-1

System Generated Number

  • 0117028281

Structure Descriptors

InChI

1S/C25H34O6/c1-25(2,31-19-6-4-3-5-7-19)23(27)11-10-21-20-9-8-17(12-13-30-16-24(28)29)14-18(20)15-22(21)26/h3-7,10-11,14,18,20-23,26-27H,8-9,12-13,15-16H2,1-2H3,(H,28,29)/b11-10+/t18-,20-,21+,22+,23+/m0/s1

InChIKey

MYKBQVAHYUHFQI-ANAHPKEFSA-N

Smiles

C(COCCC1=C[C@H]2C[C@H]([C@@H]([C@H]2CC1)\C=C\[C@H](C(C)(Oc1ccccc1)C)O)O)(=O)O