5′-Adenylic acid, compd. with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)

CAS Registry Number®

39024-96-9

CAS Name

5′-Adenylic acid, compd. with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)

Molecular Formula

C20H21NO4.C10H14N5O7P

Cite this Page

5′-Adenylic acid, compd. with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39024-96-9 (retrieved 2025-01-03) (CAS RN: 39024-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21NO4.C10H14N5O7P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h5-8,10-12H,9H2,1-4H3;2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t;4-,6-,7-,10-/m.1/s1

InChIKey

InChIKey=BAJNONMTXYJRMJ-LPEHXXKESA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(=O)(O)O)[C@H]1O.C(C=1C2=C(C=C(OC)C(OC)=C2)C=CN1)C3=CC(OC)=C(OC)C=C3

Canonical SMILES

O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O.N=1C=CC=2C=C(OC)C(OC)=CC2C1CC3=CC=C(OC)C(OC)=C3

Other Names for this Substance

  • 5′-Adenylic acid, compd. with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)
  • Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, 5′-adenylate
  • Dicertan
  • Papaverine monophosadenine
  • Papaverine adenylate

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