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Substance Name: Theophylline magnesium salicylate
RN: 77254-85-4
InChIKey: QMROWKNOXHUYOJ-UHFFFAOYSA-M

Molecular Formula

  • C14-H12-Mg-N4-O5

Molecular Weight

  • 342.593
 
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Names and Synonyms

Name of Substance

  • Theophylline magnesium salicylate

Synonym

  • Theophylline magnesium salicylate pentahydrate

Systematic Name

  • Magnesium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)-

Registry Numbers

CAS Registry Number

  • 77254-85-4

System Generated Number

  • 0077254854

Structure Descriptors

InChI

1S/C7H8N4O2.C7H7O3.Mg/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);1-4,7-9H;/q;-1;+2/p-1

InChIKey

QMROWKNOXHUYOJ-UHFFFAOYSA-M

Smiles

c12[nH]cnc2n(C)c(=O)n(C)c1=O.c1ccc(c(c1)C([O-])O)[O-].[Mg+2]