Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 8-Cyclopropyltheophylline
RN: 35873-47-3
InChIKey: SZMWFUBOZRDQPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N4-O2

Molecular Weight

  • 220.2308
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 8-Cyclopropyltheophylline

Synonyms

  • 8-Cyclopropyl theophylline
  • 8-Cyclopropyltheophylline
  • BRN 1126306
  • NSC 101797
  • Xanthine, 8-cyclopropyl-1,3-dimethyl-

Systematic Names

  • 1H-Purine-2,6-dione, 8-cyclopropyl-3,7-dihydro-1,3-dimethyl- (9CI)
  • Theophylline, 8-cyclopropyl-

Registry Numbers

CAS Registry Number

  • 35873-47-3

System Generated Number

  • 0035873473

Structure Descriptors

InChI

1S/C10H12N4O2/c1-13-8-6(9(15)14(2)10(13)16)11-7(12-8)5-3-4-5/h5H,3-4H2,1-2H3,(H,11,12)

InChIKey

SZMWFUBOZRDQPO-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)C3CC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1202, 1971.