Pyridofylline

CAS Registry Number®

53403-97-7

CAS Name

Pyridofylline

Molecular Formula

C9H12N4O6S.C8H11NO3

Cite this Page

Pyridofylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53403-97-7 (retrieved 2024-12-27) (CAS RN: 53403-97-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-146 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C9H12N4O6S.C8H11NO3/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19-20(16,17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h5H,3-4H2,1-2H3,(H,16,17,18);2,10-12H,3-4H2,1H3

InChIKey

InChIKey=WXFJHNDXYIDTAF-UHFFFAOYSA-N

SMILES

C(COS(=O)(=O)O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1.C(O)C=1C(CO)=CN=C(C)C1O

Canonical SMILES

O=C1C2=C(N=CN2CCOS(=O)(=O)O)N(C(=O)N1C)C.OC=1C(=NC=C(C1CO)CO)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-(sulfooxy)ethyl]-, compd. with 5-hydroxy-6-methyl-3,4-pyridinedimethanol (1:1)
  • Theophylline, 7-(2-hydroxyethyl)-, hydrogen sulfate, compd. with pyridoxol
  • 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-(sulfooxy)ethyl]-1H-purine-2,6-dione (1:1)
  • Pyridofylline
  • 2-Methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridinium O-(theophyllin-7-ylethyl) sulfate

View All

CAS INSIGHTSTM
A collage showcasing diverse technology, including gadgets, devices, and innovative tools in a vibrant arrangement.