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Substance Name: 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenyl)-, (E)-
RN: 106465-45-6
InChIKey: UGCOFEOEBHUEHA-JXMROGBWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N4-O4

Molecular Weight

  • 382.4178
 
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Names and Synonyms

Synonyms

  • (E)-3-(4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenyl)-2-propenoic acid
  • (E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106465-45-6

System Generated Number

  • 0106465456

Structure Descriptors

InChI

1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+

InChIKey

UGCOFEOEBHUEHA-JXMROGBWSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)/C=C/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5015647,