Chem
J-GLOBAL ID:201407020805135418   Nikkaji number:J3.252.734E

Bitopertin

ビトペルチン
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: C21H20F7N3O4S
Molecular formula furigana: C21-H20-F7-N3-O4-S
Molecular weight: 543.460
InChI: 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
InChI key: YUUGYIUSCYNSQR-LBPRGKRZSA-N
SMILES: C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C)C(F)(F)F
Systematic name  (3):
  • メチル[3-[4-[3-フルオロ-5-(トリフルオロメチル)ピリジン-2-イル]ピペラジン-1-イルカルボニル]-4-[(S)-1-(トリフルオロメチル)エチルオキシ]フェニル]スルホン
  • 1-[3-フルオロ-5-(トリフルオロメチル)ピリジン-2-イル]-4-(5-メタンスルホニル-2-{[(2S)-1,1,1-トリフルオロプロパン-2-イル]オキシ}ベンゾイル)ピペラジン
  • 1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
Other name (3):
  • Methyl[3-[4-[3-fluoro-5-(trifluoromethyl)pyridine-2-yl]piperazine-1-ylcarbonyl]-4-[(S)-1-(trifluoromethyl)ethyloxy]phenyl] sulfone
  • ビトペルチン
  • Bitopertin
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