Chem
J-GLOBAL ID：200907053797253789   Nikkaji number：J470.122D

(DHQ)2PHAL

(DHQ)2PHAL
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-PDNPBWJSSA-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  (13)：
  • 1,4-ビス[[[(8α,9R)-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
  • 9,9′′-(フタラジン-1,4-ジイルビスオキシ)ビス[(8S,9R)-6′-メトキシ-10,11-ジヒドロシンコナン]
  • (8S,8′′S,9R,9′′R)-9,9′′-(1,4-フタラジンジイルビスオキシ)ビス(10,11-ジヒドロ-6′-メトキシシンコナン)
  • 1,4-ビス[[(8S,9R)-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
  • 1,4-ビス[[(8α,9R)-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
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Other name (16)：
  • 1,4-Bis[[[(8α,9R)-10,11-dihydro-6′-methoxycinchonan]-9-yl]oxy]phthalazine
  • 9,9′′-(Phthalazine-1,4-diylbisoxy)bis[(8S,9R)-6′-methoxy-10,11-dihydrocinchonan]
  • (DHQ)2PHAL
  • (8S,8′′S,9R,9′′R)-9,9′′-(1,4-Phthalazinediylbisoxy)bis(10,11-dihydro-6′-methoxycinchonan)
  • (DHQ)2-PHAL
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