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Substance Name: Bitopertin [USAN:INN]
RN: 845614-11-1
UNII: Q8L6AN59YY
InChIKey: YUUGYIUSCYNSQR-LBPRGKRZSA-N

Note

  • A GlyT1 inhibitor.

Molecular Formula

  • C21-H20-F7-N3-O4-S

Molecular Weight

  • 543.458
 
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Names and Synonyms

Name of Substance

  • Bitopertin [USAN:INN]
  • Paliflutine [INN]

Synonyms

  • (4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methylsulfonyl-2-(((S)-2,2,2-trifluoro-1-methylethyl)oxy)phenyl)methanone
  • (S)-(4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-(methanesulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone
  • Bitopertin
  • Methanone, (4-(3-fluoro-5-(trifluoromethyl)-2-pyridinyl)-1-piperazinyl)(5-(methylsulfonyl)-2-((1s)-2,2,2-trifluoro-1-methylethoxy)phenyl)-palmitoyl oligopeptide
  • Paliflutine
  • R 1678
  • RG 1678
  • Ro 4917838
  • Ro 4917939
  • RO4917838
  • UNII-Q8L6AN59YY

Systematic Names

  • (4-(3-Fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone
  • Piperazine, 1-(3-fluoro-5-(trifluoromethyl)-2-pyridinyl)-4-(5-(methylsulfonyl)-2-((1S)-2,2,2-trifluoro-1-methylethoxy)benzoyl)-

Registry Numbers

CAS Registry Number

  • 845614-11-1

FDA UNII

  • Q8L6AN59YY

System Generated Number

  • 0845614111

Structure Descriptors

InChI

1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1

InChIKey

YUUGYIUSCYNSQR-LBPRGKRZSA-N

Smiles

C[C@@H](C(F)(F)F)Oc1ccc(cc1C(=O)N2CCN(CC2)c3c(cc(cn3)C(F)(F)F)F)S(=O)(=O)C