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Substance Name: 15-Cyclopentyl-7-oxo-prostaglandin I2-ephedrine
RN: 100992-40-3
InChIKey: FWEMWHKUWXFBLP-MSHGLLSMSA-N

Molecular Formula

  • C20-H28-O6.C10-H15-N-O

Molecular Weight

  • 529.6697
 
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Names and Synonyms

Name of Substance

  • 15-Cyclopentyl-7-oxo-prostaglandin I2-ephedrine

Synonyms

  • 15-Cyclopentyl-7-keto-pgi2-ephedrine
  • Chinoin 8054

Systematic Name

  • Pentanoic acid, 5-(4-(3-cyclopentyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-3-oxo-2H-cyclopenta(b)furan-2-ylidene)-, (3aR-(2Z,3aalpha,4alpha(1E,3S*),5beta,6aalpha))-, compd. with (R-(R*,S*))-alpha-(1-(methylamino)ethyl)benzenemethanol (1:1)

Registry Numbers

CAS Registry Number

  • 100992-40-3

System Generated Number

  • 0100992403

Molecular Formulas

Molecular Formula

  • C20-H28-O6.C10-H15-N-O

Molecular Formula Fragments

  • C10-H15-N-O
  • C20-H28-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28O6.C10H15NO/c21-14(12-5-1-2-6-12)10-9-13-15(22)11-17-19(13)20(25)16(26-17)7-3-4-8-18(23)24;1-8(11-2)10(12)9-6-4-3-5-7-9/h7,9-10,12-15,17,19,21-22H,1-6,8,11H2,(H,23,24);3-8,10-12H,1-2H3/b10-9+,16-7-;/t13-,14+,15+,17-,19+;8-,10-/m00/s1

InChIKey

FWEMWHKUWXFBLP-MSHGLLSMSA-N

Smiles

C[C@@H]([C@@H](c1ccccc1)O)NC.C1CCC(C1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2C(=O)/C(=C/CCCC(=O)O)/O3)O)O