Chem
J-GLOBAL ID：200907027792849950   Nikkaji number：J470.121F

(DHQD)2-PHAL

1,4-ビス[[(9S)-10,11-ジヒドロ-6′-メトキシシンコナン-9-イル]オキシ]フタラジン
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： C48H54N6O4
Molecular formula furigana： C48-H54-N6-O4
Molecular weight： 778.998
InChI： InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30-,31-,32-,43+,44+,45-,46-/m0/s1
InChI key： YUCBLVFHJWOYDN-HVLQGHBFSA-N
SMILES： CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@H]([C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccnc3ccc(OC)cc23)c2ccccc12)c1ccnc2ccc(OC)cc12
Systematic name  (17)：
  • 1,4-ビス[[[(9S)-6′-メトキシ-10,11-ジヒドロシンコナン]-9-イル]オキシ]フタラジン
  • 1,4-ビス[[[(9S)-10,11-ジヒドロ-6′-メトキシシンコナン]-9-イル]オキシ]フタラジン
  • (9S,9′′S)-9,9′′-(1,4-フタラジンジイルビスオキシ)ビス(6′-メトキシ-10,11-ジヒドロシンコナン)
  • 1,4-ビス[[(9S)-6′-メトキシ-10,11-ジヒドロシンコナン-9-イル]オキシ]フタラジン
  • 9,9′′-(フタラジン-1,4-ジイルビスオキシ)ビス[(9S)-6′-メトキシ-10,11-ジヒドロシンコナン]
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Other name (17)：
  • 1,4-Bis[[[(9S)-10,11-dihydro-6′-methoxycinchonan]-9-yl]oxy]phthalazine
  • (9S,9′′S)-9,9′′-(1,4-Phthalazinediylbisoxy)bis(6′-methoxy-10,11-dihydrocinchonan)
  • 1,4-Bis[[(9S)-6′-methoxy-10,11-dihydrocinchonan-9-yl]oxy]phthalazine
  • (DHQD)2-PHAL
  • 9,9′′-(Phthalazine-1,4-diylbisoxy)bis[(9S)-6′-methoxy-10,11-dihydrocinchonan]
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