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Substance Name: Theophylline-ethylenediamine
RN: 5768-49-0
InChIKey: LHRHXWBJUQKYEL-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O2.x-C2-H8-N2

Molecular Weight

  • 240.2654
 
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Names and Synonyms

Results Name

  • Theophylline-ethylenediamine

Synonym

  • Theophylline-ethylenediamine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine

Registry Numbers

CAS Registry Number

  • 5768-49-0

System Generated Number

  • 0005768490

Molecular Formulas

Molecular Formula

  • C7-H8-N4-O2.x-C2-H8-N2

Molecular Formula Fragments

  • C2-H8-N2
  • C7-H8-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N4O2.C2H8N2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);1-4H2

InChIKey

LHRHXWBJUQKYEL-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc[nH]c2C1=O.NCCN