Doxofylline

CAS Registry Number®

69975-86-6
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CAS Name

Doxofylline

Molecular Formula

C11H14N4O4

Molecular Mass

266.25

Cite this Page

Doxofylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=69975-86-6 (retrieved 2024-07-16) (CAS RN: 69975-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-145.5 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

InChIKey

InChIKey=HWXIGFIVGWUZAO-UHFFFAOYSA-N

SMILES

C(N1C2=C(N(C)C(=O)N(C)C2=O)N=C1)C3OCCO3

Canonical SMILES

O=C1C2=C(N=CN2CC3OCCO3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-(1,3-dioxolan-2-ylmethyl)-
  • 7-(1,3-Dioxolan-2-ylmethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 2-(7′-Theophyllinemethyl)-1,3-dioxolane
  • ABC 1213