Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 8-(4-Sulfophenyl)theophylline
RN: 80206-91-3
InChIKey: LXJSJIXZOAMHTG-UHFFFAOYSA-N

Note

  • Adenosine antagonist.

Classification Codes

  • Neurotransmitter Agents
  • Purinergic Agents
  • Purinergic Antagonists
  • Purinergic P1 Receptor Antagonists

Molecular Formula

  • C13-H12-N4-O5-S

Molecular Weight

  • 336.3268
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 8-(4-Sulfophenyl)theophylline

Synonyms

  • 4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid
  • 8-(p-Sulfophenyl)theophylline
  • 8-Pspt
  • 8-SPT
  • 8-Sulfophenyltheophylline
  • 8-Sulphophenyltheophylline
  • Psp-theophylline

Systematic Name

  • Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-

Registry Numbers

CAS Registry Number

  • 80206-91-3

System Generated Number

  • 0080206913

Structure Descriptors

InChI

1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)

InChIKey

LXJSJIXZOAMHTG-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)c3ccc(cc3)S(=O)(=O)O