1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2)

CAS Registry Number®

261717-23-1

CAS Name

1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2)

Molecular Formula

C21H23N4O7P.2Na

Cite this Page

1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=261717-23-1 (retrieved 2024-11-22) (CAS RN: 261717-23-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23N4O7P.2Na/c1-4-11-25-20(26)18-19(24(21(25)27)12-6-13-32-33(28,29)30)22-17(23(18)2)10-9-15-7-5-8-16(14-15)31-3;;/h1,5,7-10,14H,6,11-13H2,2-3H3,(H2,28,29,30);;/b10-9+;;

InChIKey

InChIKey=QXYBLALEZQKWDR-TTWKNDKESA-N

SMILES

C(CCOP(=O)(O)O)N1C2=C(C(=O)N(CC#C)C1=O)N(C)C(/C=C/C3=CC(OC)=CC=C3)=N2.[Na]

Canonical SMILES

[Na].O=C1C2=C(N=C(C=CC=3C=CC=C(OC)C3)N2C)N(C(=O)N1CC#C)CCCOP(=O)(O)O

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propyn-1-yl)-, sodium salt (1:2)
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-[(1E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-3-[3-(phosphonooxy)propyl]-1-(2-propynyl)-, disodium salt
  • MSX 3

CAS INSIGHTSTM
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