Chem
J-GLOBAL ID：201007065612315669   Nikkaji number：J2.788.949B

Casopitant

カソピタント
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： C30H35F7N4O2
Molecular formula furigana： C30-H35-F7-N4-O2
Molecular weight： 616.625
InChI： InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1
InChI key： XGGTZCKQRWXCHW-WMTVXVAQSA-N
SMILES： C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(=O)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Systematic name  (4)：
  • (2R,4S)-4-(4-アセチルピペラジノ)-N-[(1R)-1-[3,5-ビス(トリフルオロメチル)フェニル]エチル]-2-(4-フルオロ-2-メチルフェニル)-N-メチル-1-ピペリジンカルボアミド
  • (2R)-N-[(R)-α-メチル-3,5-ビス(トリフルオロメチル)ベンジル]-N-メチル-2β-(2-メチル-4-フルオロフェニル)-4β-(4-アセチルピペラジノ)ピペリジン-1-カルボアミド
  • (2R,4S)-4-(4-アセチルピペラジン-1-イル)-N-[(1R)-1-[3,5-ビス(トリフルオロメチル)フェニル]エチル]-2-(4-フルオロ-2-メチルフェニル)-N-メチルピペリジン-1-カルボキサミド
  • (2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
Other name (4)：
  • (2R,4S)-4-(4-Acetylpiperazino)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide
  • (2R)-N-[(R)-α-Methyl-3,5-bis(trifluoromethyl)benzyl]-N-methyl-2β-(2-methyl-4-fluorophenyl)-4β-(4-acetylpiperazino)piperidine-1-carboxamide
  • カソピタント
  • Casopitant
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