1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 3-(2-methoxyphenoxy)-1,2-propanediol (1:1)

CAS Registry Number®

5634-38-8
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CAS Name

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 3-(2-methoxyphenoxy)-1,2-propanediol (1:1)

Molecular Formula

C10H14O4.C7H8N4O2

Cite this Page

1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 3-(2-methoxyphenoxy)-1,2-propanediol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5696-14-0 (retrieved 2024-07-05) (CAS RN: 5634-38-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H14O4.C7H8N4O2/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h2-5,8,11-12H,6-7H2,1H3;3H,1-2H3,(H,8,9)

InChIKey

InChIKey=PVKUHCBHOUMGJN-UHFFFAOYSA-N

SMILES

O(CC(CO)O)C1=C(OC)C=CC=C1.O=C1C2=C(N(C)C(=O)N1C)N=CN2

Canonical SMILES

O=C1C=2NC=NC2N(C(=O)N1C)C.OCC(O)COC=1C=CC=CC1OC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 3-(2-methoxyphenoxy)-1,2-propanediol (1:1)
  • Theophylline, compd. with 3-(o-methoxyphenoxy)-1,2-propanediol (1:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 3-(2-methoxyphenoxy)-1,2-propanediol (1:1)
  • 1,2-Propanediol, 3-(2-methoxyphenoxy)-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Eclabron

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Deleted or Replaced CAS Registry Numbers

5696-14-0