Chem
J-GLOBAL ID：201307047602786497   Nikkaji number：J3.180.927D

(8S,9S)-6′-Methoxy-9-[[3,5-bis(trifluoromethyl)benzoyl]amino]cinchonan

(8S,9S)-6′-メトキシ-9-[[3,5-ビス(トリフルオロメチル)ベンゾイル]アミノ]シンコナン
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： C29H27F6N3O2
Molecular formula furigana： C29-H27-F6-N3-O2
Molecular weight： 563.544
InChI： InChI=1S/C29H27F6N3O2/c1-3-16-15-38-9-7-17(16)12-25(38)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)37-27(39)18-10-19(28(30,31)32)13-20(11-18)29(33,34)35/h3-6,8,10-11,13-14,16-17,25-26H,1,7,9,12,15H2,2H3,(H,37,39)/t16-,17-,25-,26-/m0/s1
InChI key： BSAMKCJCFWKYHR-FRSFCCSCSA-N
SMILES： COc1ccc2nccc([C@H](NC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Systematic name  (4)：
  • N-[(8α,9S)-6′-メトキシシンコナン-9-イル]-3,5-ビス(トリフルオロメチル)ベンズアミド
  • (8S,9S)-6′-メトキシ-9-[[3,5-ビス(トリフルオロメチル)ベンゾイル]アミノ]シンコナン
  • N-[(S)-[(2S,4S,5R)-5-エテニル-1-アザビシクロ[2.2.2]オクタン-2-イル](6-メトキシキノリン-4-イル)メチル]-3,5-ビス(トリフルオロメチル)ベンズアミド
  • N-[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
Other name (2)：
  • N-[(8α,9S)-6′-Methoxycinchonan-9-yl]-3,5-bis(trifluoromethyl)benzamide
  • (8S,9S)-6′-Methoxy-9-[[3,5-bis(trifluoromethyl)benzoyl]amino]cinchonan
Thsaurus map：
Thesaurus Map

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