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Substance Name: Theophylline calcium salicylate
RN: 37287-41-5
InChIKey: QSHCOHXQADZJCH-UHFFFAOYSA-J

Molecular Formula

  • C7-H8-N4-O2.C7-H6-O3.x-Ca

Molecular Weight

  • 712.6996
 
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Names and Synonyms

Results Name

  • Theophylline calcium salicylate

Synonym

  • Theophylline calcium salicylate

Systematic Name

  • Benzoic acid, 2-hydroxy-, calcium salt (2:1), mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione calcium salt

Registry Numbers

CAS Registry Number

  • 37287-41-5

Other Registry Number

  • 53092-87-8

System Generated Number

  • 0037287415

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.C7-H6-O3.x-Ca

Molecular Formula Fragments

  • C7-H6-O3
  • C7-H8-N4-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H8N4O2.2C7H6O3.2Ca/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;2*8-6-4-2-1-3-5(6)7(9)10;;/h2*3H,1-2H3,(H,8,9,12);2*1-4,8H,(H,9,10);;/q;;;;2*+2/p-4

InChIKey

QSHCOHXQADZJCH-UHFFFAOYSA-J

Smiles

Cn1c2c(c(=O)n(c1=O)C)[n-]cn2.Cn1c2c(c(=O)n(c1=O)C)[n-]cn2.c1ccc(c(c1)C(=O)[O-])O.c1ccc(c(c1)C(=O)[O-])O.[Ca+2].[Ca+2]