Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 8-Cyclopentyl-1,3-dimethylxanthine
RN: 35873-49-5
InChIKey: SCVHFRLUNIOSGI-UHFFFAOYSA-N

Note

  • Prolongs epileptic seizures in rats.

Classification Codes

  • Drug / Therapeutic Agent
  • Neurotransmitter Agents
  • Purinergic Agents
  • Purinergic Antagonists
  • Purinergic P1 Receptor Antagonists

Molecular Formula

  • C12-H16-N4-O2

Molecular Weight

  • 248.2844
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 8-Cyclopentyl-1,3-dimethylxanthine

Synonyms

  • 8-Cyclopentyl theophylline
  • BRN 1133199
  • NSC 101806
  • Xanthine, 8-cyclopentyl-1,3-dimethyl-

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 35873-49-5

System Generated Number

  • 0035873495

Structure Descriptors

InChI

1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)

InChIKey

SCVHFRLUNIOSGI-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)C3CCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1202, 1971.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06862,