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Substance Name: Carsatrin, (S)-
RN: 125345-93-9
UNII: 0183L9B2Q9
InChIKey: JOMBZLFCXNSKEQ-NRFANRHFSA-N

Molecular Formula

  • C25-H26-F2-N6-O-S

Molecular Weight

  • 496.5834
 
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Names and Synonyms

Name of Substance

  • Carsatrin, (S)-

Synonyms

  • 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-((1H-purin-6-ylthio)methyl)-, (alphaS)-
  • Carsatrin, (S)-
  • UNII-0183L9B2Q9

Registry Numbers

CAS Registry Number

  • 125345-93-9

FDA UNII

  • 0183L9B2Q9

System Generated Number

  • 0125345939

Structure Descriptors

InChI

1S/C25H26F2N6OS/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31)/t21-/m0/s1

InChIKey

JOMBZLFCXNSKEQ-NRFANRHFSA-N

Smiles

O[C@H](CSc1ncnc2[nH]cnc12)CN3CCN(CC3)C(c4ccc(F)cc4)c5ccc(F)cc5