Benzoic acid, 2-hydroxy-, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt (1:1:1)

CAS Registry Number®

129-98-6

CAS Name

Benzoic acid, 2-hydroxy-, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt (1:1:1)

Molecular Formula

C7H8N4O2.C7H6O3.Ca

Molecular Mass

358.36

Cite this Page

Benzoic acid, 2-hydroxy-, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt (1:1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129-98-6 (retrieved 2025-04-12) (CAS RN: 129-98-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C7H6O3.Ca/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;8-6-4-2-1-3-5(6)7(9)10;/h3H,1-2H3,(H,8,9);1-4,8H,(H,9,10);

InChIKey

InChIKey=MYHFCUDWCADSOV-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(O)C=CC=C1.O=C1C2=C(N(C)C(=O)N1C)N=CN2.[Ca]

Canonical SMILES

[Ca].O=C(O)C=1C=CC=CC1O.O=C1C=2NC=NC2N(C(=O)N1C)C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-, compd. with 3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione, calcium salt (1:1:1)
  • Salicylic acid, calcium salt (1:1), compd. with theophylline (1:1)
  • Benzoic acid, 2-hydroxy-, calcium salt, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1:1)
  • Theophylline, compd. with calcium salicylate (1:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-hydroxybenzoic acid calcium salt (1:1:1)

Deleted or Replaced CAS Registry Numbers

79925-56-7

CAS INSIGHTSTM
Cell Membrane Phospholipid Structure,Phospholipid bilayer of the cell membrane, Lipid bilayer