Aminophylline

CAS Registry Number®

317-34-0

CAS Name

Aminophylline

Molecular Formula

C7H8N4O2.1/2C2H8N2

Cite this Page

Aminophylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=317-34-0 (retrieved 2024-11-24) (CAS RN: 317-34-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=LHRHXWBJUQKYEL-UHFFFAOYSA-N

SMILES

C(CN)N.O=C1C2=C(N(C)C(=O)N1C)N=CN2

Canonical SMILES

O=C1C=2NC=NC2N(C(=O)N1C)C.NCCN

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1)
  • Theophylline, compd. with ethylenediamine (2:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1)
  • Ethylenediamine, compd. with theophylline (1:2)
  • 1,2-Ethanediamine, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:2)

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Deleted or Replaced CAS Registry Numbers

8013-40-9, 12767-26-9, 80186-94-3, 442519-87-1