Chem
J-GLOBAL ID：201407034439496098   Nikkaji number：J3.229.804D

Begacestat

ベガセスタット
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C9H8ClF6NO3S2
Molecular formula furigana： C9-H8-CL-F6-N-O3-S2
Molecular weight： 391.730
InChI： InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1
InChI key： PSXOKXJMVRSARX-SCSAIBSYSA-N
SMILES： OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F
Systematic name  (3)：
  • N-[(S)-3,3,3-トリフルオロ-1-(ヒドロキシメチル)-2-(トリフルオロメチル)プロピル]-5-クロロ-2-チオフェンスルホンアミド
  • 5-クロロ-N-[(2S)-4,4,4-トリフルオロ-1-ヒドロキシ-3-(トリフルオロメチル)ブタン-2-イル]チオフェン-2-スルホンアミド
  • 5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
Other name (3)：
  • N-[(S)-3,3,3-Trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-5-chloro-2-thiophenesulfonamide
  • ベガセスタット
  • Begacestat
CAS registry number： 769169-27-9
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