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Substance Name: LY 245769
RN: 127345-02-2
InChIKey: AISVBCUPJSXTFQ-ZSFKXVPFSA-N

Molecular Formula

  • C25-H33-F3-N8-O-S

Molecular Weight

  • 550.651
 
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Names and Synonyms

Name of Substance

  • LY 245769

Synonyms

  • 5-(3-(1-Hydroxy-15,15,15-trifluoro-2-(2-1H-tetrazol-5-ylethylthio)pentadeca-3,5-dienyl)phenyl)-1H-tetrazole
  • LY-245769

Systematic Name

  • Benzenemethanol, 3-(1H-tetrazol-5-yl)-alpha-(14,14,14-trifluoro-1-((2-(1H-tetrazol-5-yl)ethyl)thio)-2,4-tetradecadienyl)-, (R-(R*,S*-(E,Z)))-

Registry Numbers

CAS Registry Number

  • 127345-02-2

System Generated Number

  • 0127345022

Structure Descriptors

InChI

1S/C25H33F3N8OS/c26-25(27,28)16-10-8-6-4-2-1-3-5-7-9-14-21(38-17-15-22-29-33-34-30-22)23(37)19-12-11-13-20(18-19)24-31-35-36-32-24/h5,7,9,11-14,18,21,23,37H,1-4,6,8,10,15-17H2,(H,29,30,33,34)(H,31,32,35,36)/b7-5-,14-9+/t21-,23+/m1/s1

InChIKey

AISVBCUPJSXTFQ-ZSFKXVPFSA-N

Smiles

c1(cc(ccc1)c1nnn[nH]1)[C@H](O)[C@@H](\C=C\C=C/CCCCCCCCC(F)(F)F)SCCc1nnn[nH]1