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Substance Name: Iloprost phenacyl ester
RN: 122405-30-5
InChIKey: CZUMMMDKQYRZDP-JCAXBLPDSA-N

Molecular Formula

  • C30-H38-O5

Molecular Weight

  • 478.6252
 
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Names and Synonyms

Name of Substance

  • Iloprost phenacyl ester

Synonym

  • Iloprost-PE

Systematic Name

  • Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2(1H)-pentalenylidene)-, 2-oxo-2-phenylethyl ester

Registry Numbers

CAS Registry Number

  • 122405-30-5

System Generated Number

  • 0122405305

Structure Descriptors

InChI

1S/C30H38O5/c1-3-4-10-21(2)27(31)16-15-25-26-18-22(17-24(26)19-28(25)32)11-8-9-14-30(34)35-20-29(33)23-12-6-5-7-13-23/h5-7,11-13,15-16,21,24-28,31-32H,8-10,14,17-20H2,1-2H3/b16-15+,22-11-

InChIKey

CZUMMMDKQYRZDP-JCAXBLPDSA-N

Smiles

CC#CCC(C)C(/C=C/C1C(CC2C1C/C(=C\CCCC(=O)OCC(=O)c3ccccc3)/C2)O)O