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Substance Name: 11-Deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester
RN: 74412-44-5
InChIKey: MVJLKROLFXCBIB-IEYOOLRKSA-N

Molecular Weight

  • 426.614
 
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Names and Synonyms

Name of Substance

  • 11-Deoxy-11alpha-(2-hydroxyethylthio)-prostaglandin E2 methyl ester

Synonyms

  • 11-Deoxy-11alpha-(2-hydroxyethylthio)-PGE2 methyl ester
  • Dhet-PGE2

Systematic Name

  • Prosta-5,13-dien-1-oic acid, 15-hydroxy-11-((2-hydroxyethyl)thio)-9-oxo-, methyl ester, (5Z,11alpha,13E,15S)-

Registry Numbers

CAS Registry Number

  • 74412-44-5

System Generated Number

  • 0074412445

Structure Descriptors

InChI

1S/C23H38O5S/c1-3-4-7-10-18(25)13-14-20-19(21(26)17-22(20)29-16-15-24)11-8-5-6-9-12-23(27)28-2/h5,8,13-14,18-20,22,24-25H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t18-,19+,20+,22+/m0/s1

InChIKey

MVJLKROLFXCBIB-IEYOOLRKSA-N

Smiles

C(CCC\C=C/C[C@H]1C(C[C@H]([C@@H]1\C=C\[C@H](CCCCC)O)SCCO)=O)(=O)OC