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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)-, (E)-
RN: 155272-11-0
InChIKey: PZBWAXQUXKXWMA-DHZHZOJOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O5

Molecular Weight

  • 398.4168
 
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Names and Synonyms

Synonym

  • (E)-8-(4-Carboxymethoxystyryl)-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)-, (E)-

Registry Numbers

CAS Registry Number

  • 155272-11-0

System Generated Number

  • 0155272110

Structure Descriptors

InChI

1S/C20H22N4O5/c1-4-23-18-17(19(27)24(5-2)20(23)28)22(3)15(21-18)11-8-13-6-9-14(10-7-13)29-12-16(25)26/h6-11H,4-5,12H2,1-3H3,(H,25,26)/b11-8+

InChIKey

PZBWAXQUXKXWMA-DHZHZOJOSA-N

Smiles

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