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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-hydroxyphenyl)ethenyl)-7-methyl, (E)-
RN: 155272-15-4
InChIKey: MUILGNFYYXAQPC-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N4-O3

Molecular Weight

  • 368.4346
 
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Names and Synonyms

Synonym

  • (E)-1,3-Diethyl-8-(4-hydroxy-2,3-dimethylstyryl)-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,3-dimethyl-4-hydroxyphenyl)ethenyl)-7-methyl, (E)-

Registry Numbers

CAS Registry Number

  • 155272-15-4

System Generated Number

  • 0155272154

Structure Descriptors

InChI

1S/C20H24N4O3/c1-6-23-18-17(19(26)24(7-2)20(23)27)22(5)16(21-18)11-9-14-8-10-15(25)13(4)12(14)3/h8-11,25H,6-7H2,1-5H3/b11-9+

InChIKey

MUILGNFYYXAQPC-PKNBQFBNSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(c(c3C)C)O)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,