(DHQ)2PHAL

CAS Registry Number®

140924-50-1

CAS Name

(DHQ)2PHAL

Molecular Formula

C48H54N6O4

Molecular Mass

778.98

Cite this Page

(DHQ)2PHAL.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140924-50-1 (retrieved 2024-11-22) (CAS RN: 140924-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=YUCBLVFHJWOYDN-PDNPBWJSSA-N

SMILES

[C@H](OC=1C2=C(C(O[C@@H]([C@]3([N@@]4C[C@H](CC)[C@](C3)(CC4)[H])[H])C=5C6=C(C=CC(OC)=C6)N=CC5)=NN1)C=CC=C2)([C@]7([N@@]8C[C@H](CC)[C@](C7)(CC8)[H])[H])C=9C%10=C(C=CC(OC)=C%10)N=CC9

Canonical SMILES

N=1N=C(OC(C=2C=CN=C3C=CC(OC)=CC32)C4N5CCC(C4)C(C5)CC)C=6C=CC=CC6C1OC(C=7C=CN=C8C=CC(OC)=CC87)C9N%10CCC(C9)C(C%10)CC

Other Names for this Substance

  • Cinchonan, 9,9′′-[1,4-phthalazinediylbis(oxy)]bis[10,11-dihydro-6′-methoxy-, (8α,9R)-(8′′α,9′′R)-
  • (8α,9R)-(8′′α,9′′R)-9,9′′-[1,4-Phthalazinediylbis(oxy)]bis[10,11-dihydro-6′-methoxycinchonan]
  • (DHQ)2PHAL
  • 1,4-Bis(dihydroquinine)phthalazine
  • 1,4-Bis(9-O-dihydroquininyl)phthalazine

View All

Deleted or Replaced CAS Registry Numbers

1041469-28-6, 1695569-25-5