Chem
J-GLOBAL ID：201107074857564873   Nikkaji number：J2.982.528I

9,9′′-(2,5-Diphenylpyrimidine-4,6-diyl)bisoxybis[(8S,9R)-10,11-dihydrocinchonan]

9,9′′-(2,5-ジフェニルピリミジン-4,6-ジイル)ビスオキシビス[(8S,9R)-10,11-ジヒドロシンコナン]
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： C54H56N6O2
Molecular formula furigana： C54-H56-N6-O2
Molecular weight： 821.082
InChI： InChI=1S/C54H56N6O2/c1-3-35-33-59-29-25-39(35)31-47(59)50(43-23-27-55-45-21-13-11-19-41(43)45)61-53-49(37-15-7-5-8-16-37)54(58-52(57-53)38-17-9-6-10-18-38)62-51(44-24-28-56-46-22-14-12-20-42(44)46)48-32-40-26-30-60(48)34-36(40)4-2/h5-24,27-28,35-36,39-40,47-48,50-51H,3-4,25-26,29-34H2,1-2H3/t35-,36-,39-,40-,47-,48-,50+,51+/m0/s1
InChI key： RVFKTZKIQSNCCO-PZGOJFGOSA-N
SMILES： CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](Oc1nc(nc(O[C@@H]([C@@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccnc3ccccc23)c1c1ccccc1)c1ccccc1)c1ccnc2ccccc12
Systematic name  (3)：
  • 9,9′′-(2,5-ジフェニルピリミジン-4,6-ジイル)ビスオキシビス[(8S,9R)-10,11-ジヒドロシンコナン]
  • 4-[(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-[(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](キノリン-4-イル)メトキシ]-2,5-ジフェニルピリミジン-4-イル}オキシ)メチル]キノリン
  • 4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]({6-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl}oxy)methyl]quinoline
Other name (1)：
  • 9,9′′-(2,5-Diphenylpyrimidine-4,6-diyl)bisoxybis[(8S,9R)-10,11-dihydrocinchonan]
Thsaurus map：
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