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Substance Name: Efepristin [INN]
RN: 57206-54-9
UNII: 69RU1K50ZP
InChIKey: PCOXSOQWQVRJCH-RIECGXCRSA-N

Molecular Formula

  • C44-H52-N8-O10

Molecular Weight

  • 852.9408
 
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Names and Synonyms

Name of Substance

  • Efepristin [INN]

Synonyms

  • Efepristin
  • N-((6R,9S,10R,13S,15aS,22S,24aS)-6-Ethyldocosahydro-10,23-dimethyl-22-(p-(methylamino)benzyl)-5,8,12,15,17,21,24-heptaoxo-13-phenyl-12H-pyrido(2,1-f)pyrrolo(2,1-l)(1,4,7,10,13,16)oxapentaazacyclononadecin-9-yl)-3-hydroxypicolinamide
  • UNII-69RU1K50ZP

Systematic Name

  • N-((6R,9S,10R,13S,15aS,22S,24as)-6-Ethyldocosahydro-10,23-dimethyl-22-(p-(methylamino)benzyl)-5,8,12,15,17,21,24-heptaoxo-13-phenyl-12H-pyrido(2,1-f)pyrrolo(2,1-l)(1,4,7,13,16)oxapentaazacyclononadecin-9-yl)-3-hydroxypicolinamide.

Registry Numbers

CAS Registry Number

  • 57206-54-9

FDA UNII

  • 69RU1K50ZP

System Generated Number

  • 0057206549

Structure Descriptors

InChI

1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)/t25-,30-,31+,32+,33+,35+,36+/m1/s1

InChIKey

PCOXSOQWQVRJCH-RIECGXCRSA-N

Smiles

CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)Cc6ccc(cc6)NC)C