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Substance Name: 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-3-(2-methylpropyl)-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-
RN: 106465-49-0
InChIKey: GJRFVRIHEZCVCK-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N4-O4

Molecular Weight

  • 354.3642
 
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Names and Synonyms

Synonym

  • (E)-4-(1,2,3,6-Tetrahydro-3-isobutyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid

Systematic Name

  • 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-3-(2-methylpropyl)-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 106465-49-0

System Generated Number

  • 0106465490

Structure Descriptors

InChI

1S/C18H18N4O4/c1-10(2)9-22-16-14(17(25)21-18(22)26)19-15(20-16)12-6-3-11(4-7-12)5-8-13(23)24/h3-8,10H,9H2,1-2H3,(H,19,20)(H,23,24)(H,21,25,26)/b8-5+

InChIKey

GJRFVRIHEZCVCK-VMPITWQZSA-N

Smiles

CC(C)Cn1c2c(c(=O)[nH]c1=O)[nH]c(n2)c3ccc(cc3)/C=C/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5015647,