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Substance Name: N-(4,10-Dihydro-5,5-dioxido-10-oxo(1)benzothiepino(4,3-b)furan-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, (2S)-
RN: 1392269-18-9
UNII: MQ8HCI2333
InChIKey: YVEDUSQAAOTGFM-HNNXBMFYSA-N

Molecular Formula

  • C16-H12-F3-N-O6-S

Molecular Weight

  • 403.3318
 
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Names and Synonyms

Name of Substance

  • N-(4,10-Dihydro-5,5-dioxido-10-oxo(1)benzothiepino(4,3-b)furan-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, (2S)-

Synonyms

  • KW-7158 metabolite M1
  • N-(4,10-Dihydro-5,5-dioxido-10-oxo(1)benzothiepino(4,3-b)furan-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, (2S)-
  • Propanamide, N-(4,10-dihydro-5,5-dioxido-10-oxo(1)benzothiepino(4,3-b)furan-9-yl)-3,3,3-trifluoro-2-hydroxy-2-methyl-, (2S)-
  • UNII-MQ8HCI2333

Registry Numbers

CAS Registry Number

  • 1392269-18-9

FDA UNII

  • MQ8HCI2333

System Generated Number

  • 1392269189

Structure Descriptors

InChI

1S/C16H12F3NO6S/c1-15(23,16(17,18)19)14(22)20-9-3-2-4-10-11(9)12(21)13-8(5-6-26-13)7-27(10,24)25/h2-6,23H,7H2,1H3,(H,20,22)/t15-/m0/s1

InChIKey

YVEDUSQAAOTGFM-HNNXBMFYSA-N

Smiles

C[C@](O)(C(=O)Nc1cccc2c1C(=O)c3occc3CS2(=O)=O)C(F)(F)F