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Substance Name: CI-1029
RN: 207736-05-8
UNII: VDH375TRL9
InChIKey: ZUBPKHVCBGWWGO-NDEPHWFRSA-N

Molecular Formula

  • C28-H37-N-O4-S

Molecular Weight

  • 483.6693
 
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Names and Synonyms

Name of Substance

  • CI-1029

Synonyms

  • 2H-Pyran-2-one, 6(S)-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-
  • CI-1029
  • PD 178390
  • PD178390
  • UNII-VDH375TRL9

Systematic Name

  • 2H-Pyran-2-one, 6-(2-(4-aminophenyl)ethyl)-3-((2-(1,1-dimethylethyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-5,6-dihydro-4-hydroxy-6-(1-methylethyl)-, (6S)-

Registry Numbers

CAS Registry Number

  • 207736-05-8

FDA UNII

  • VDH375TRL9

System Generated Number

  • 0207736058

Structure Descriptors

InChI

1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,30-31H,11-12,15-16,29H2,1-6H3/t28-/m0/s1

InChIKey

ZUBPKHVCBGWWGO-NDEPHWFRSA-N

Smiles

Cc1cc(c(cc1CO)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)N)C(C)C)O