1,1′-[1-[(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl] di-3-pyridinecarboxylate

CAS Registry Number®

17692-30-7

CAS Name

1,1′-[1-[(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl] di-3-pyridinecarboxylate

Molecular Formula

C22H20N6O6

Molecular Mass

464.43

Cite this Page

1,1′-[1-[(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl] di-3-pyridinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17692-30-7 (retrieved 2024-11-22) (CAS RN: 17692-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H20N6O6/c1-26-18-17(19(29)27(2)22(26)32)28(13-25-18)11-16(34-21(31)15-6-4-8-24-10-15)12-33-20(30)14-5-3-7-23-9-14/h3-10,13,16H,11-12H2,1-2H3

InChIKey

InChIKey=ZMXGPGZXYJCCHZ-UHFFFAOYSA-N

SMILES

C(C(OC(=O)C=1C=CC=NC1)COC(=O)C=2C=CC=NC2)N3C4=C(N=C3)N(C)C(=O)N(C)C4=O

Canonical SMILES

O=C(OCC(OC(=O)C=1C=NC=CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C=4C=NC=CC4

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 1,1′-[1-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl] ester
  • Nicotinic acid, diester with 7-(2,3-dihydroxypropyl)theophylline
  • 3-Pyridinecarboxylic acid, 1-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl ester
  • 1,1′-[1-[(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl]-1,2-ethanediyl] di-3-pyridinecarboxylate
  • 7-(2,3-Dihydroxypropyl)theophylline bis(nicotinate ester)

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