Chem
J-GLOBAL ID：201307066279192641   Nikkaji number：J3.134.664I

(8S,9R)-10,11-Dihydro-6′-methoxy-7′-(trifluoromethyl)cinchonan-9-ol

(8S,9R)-10,11-ジヒドロ-6′-メトキシ-7′-(トリフルオロメチル)シンコナン-9-オール
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： C21H25F3N2O2
Molecular formula furigana： C21-H25-F3-N2-O2
Molecular weight： 394.438
InChI： InChI=1S/C21H25F3N2O2/c1-3-12-11-26-7-5-13(12)8-18(26)20(27)14-4-6-25-17-10-16(21(22,23)24)19(28-2)9-15(14)17/h4,6,9-10,12-13,18,20,27H,3,5,7-8,11H2,1-2H3/t12-,13-,18-,20+/m0/s1
InChI key： LQDXOPQYEXAOQR-OCCRYCDCSA-N
SMILES： CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2cc(c(OC)cc12)C(F)(F)F
Systematic name  (3)：
  • (8S,9R)-10,11-ジヒドロ-6′-メトキシ-7′-(トリフルオロメチル)シンコナン-9-オール
  • (R)-[(2S,4S,5R)-5-エチル-1-アザビシクロ[2.2.2]オクタン-2-イル][6-メトキシ-7-(トリフルオロメチル)キノリン-4-イル]メタノール
  • (R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl][6-methoxy-7-(trifluoromethyl)quinolin-4-yl]methanol
Other name (1)：
  • (8S,9R)-10,11-Dihydro-6′-methoxy-7′-(trifluoromethyl)cinchonan-9-ol
Thsaurus map：
Thesaurus Map

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