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Substance Name: Acetic acid, (4-(2-(1,3-diethyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)ethenyl)phenoxy)-, ethyl ester, (E)-
RN: 155272-10-9
InChIKey: OZUNVAJJGHFTJB-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N4-O5

Molecular Weight

  • 426.4704
 
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Names and Synonyms

Synonym

  • (E)-8-(4-Ethoxycarbonylmethoxystyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

  • Acetic acid, (4-(2-(1,3-diethyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)ethenyl)phenoxy)-, ethyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 155272-10-9

System Generated Number

  • 0155272109

Structure Descriptors

InChI

1S/C22H26N4O5/c1-5-25-20-19(21(28)26(6-2)22(25)29)24(4)17(23-20)13-10-15-8-11-16(12-9-15)31-14-18(27)30-7-3/h8-13H,5-7,14H2,1-4H3/b13-10+

InChIKey

OZUNVAJJGHFTJB-JLHYYAGUSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(cc3)OCC(=O)OCC)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,