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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethylphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
RN: 151539-30-9
InChIKey: KMTYQFILBBQBBB-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O2

Molecular Weight

  • 380.4892
 
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Names and Synonyms

Synonym

  • (E)-8-(3,4-Dimethylstyryl)-7-methyl-1,3-dipropylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethylphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 151539-30-9

System Generated Number

  • 0151539309

Structure Descriptors

InChI

1S/C22H28N4O2/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(5)18(23-20)11-10-17-9-8-15(3)16(4)14-17/h8-11,14H,6-7,12-13H2,1-5H3/b11-10+

InChIKey

KMTYQFILBBQBBB-ZHACJKMWSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3ccc(c(c3)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,