Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methoxyphenyl)-2-oxoethyl)-8-(1-piperidinyl)-
RN: 96885-57-3
InChIKey: SQSYEEJQSVKUJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N5-O4

Molecular Weight

  • 411.4595
 
* 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

Synonyms

  • 7-p-Methoxybenzoylmethyl-8-N-piperidinotheophylline
  • BRN 5664850

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methoxyphenyl)-2-oxoethyl)-8-(1-piperidinyl)-

Registry Numbers

CAS Registry Number

  • 96885-57-3

System Generated Number

  • 0096885573

Structure Descriptors

InChI

1S/C21H25N5O4/c1-23-18-17(19(28)24(2)21(23)29)26(20(22-18)25-11-5-4-6-12-25)13-16(27)14-7-9-15(30-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3

InChIKey

SQSYEEJQSVKUJX-UHFFFAOYSA-N

Smiles

c12c(n(c(n1)N1CCCCC1)CC(=O)c1ccc(cc1)OC)c(=O)n(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1730mg/kg (1730mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Pharmaceutical Chemistry Journal Vol. 18, Pg. 823, 1984.