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Substance Name: Misoprostol acid
RN: 66792-31-2
UNII: 12Z0SU967A
InChIKey: CNWGPXZGIIOYDL-MKYGPDKMSA-N

Note

  • De-esterified metabolite of misoprostol.

Molecular Formula

  • C21-H36-O5

Molecular Weight

  • 368.51
 
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Names and Synonyms

Name of Substance

  • Misoprostol acid

Synonyms

  • (11alpha,13E)-(+)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
  • 15-Deoxy-16-hydroxy-16-methylprostaglandin E1
  • Misoprostol acid
  • SC 30695
  • UNII-12Z0SU967A

Systematic Name

  • Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, (11alpha,13E)-(+-)-

Registry Numbers

CAS Registry Number

  • 66792-31-2

FDA UNII

  • 12Z0SU967A

System Generated Number

  • 0066792312

Structure Descriptors

InChI

1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1

InChIKey

CNWGPXZGIIOYDL-MKYGPDKMSA-N

Smiles

C1([C@@H]([C@@H](\C=C\C[C@@](CCCC)(C)O)[C@@H](O)C1)CCCCCCC(O)=O)=O