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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,5-dimethyl-4-methoxyphenyl)ethenyl)-1,3,7-trimethyl-,(E)-
RN: 155814-34-9
InChIKey: HYJNXAOWTWJLMD-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O3

Molecular Weight

  • 354.4078
 
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Names and Synonyms

Synonym

  • (E)-8-(4-Methoxy-2,5-dimethylstyryl)caffeine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,5-dimethyl-4-methoxyphenyl)ethenyl)-1,3,7-trimethyl-,(E)-

Registry Numbers

CAS Registry Number

  • 155814-34-9

System Generated Number

  • 0155814349

Structure Descriptors

InChI

1S/C19H22N4O3/c1-11-10-14(26-6)12(2)9-13(11)7-8-15-20-17-16(21(15)3)18(24)23(5)19(25)22(17)4/h7-10H,1-6H3/b8-7+

InChIKey

HYJNXAOWTWJLMD-BQYQJAHWSA-N

Smiles

Cc1cc(c(cc1OC)C)/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,