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Substance Name: 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-
RN: 106465-41-2
InChIKey: BLTGSBVSJOCCTK-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-N4-O4

Molecular Weight

  • 326.3106
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106465-41-2

System Generated Number

  • 0106465412

Structure Descriptors

InChI

1S/C16H14N4O4/c1-19-14-12(15(23)20(2)16(19)24)17-13(18-14)10-6-3-9(4-7-10)5-8-11(21)22/h3-8H,1-2H3,(H,17,18)(H,21,22)/b8-5+

InChIKey

BLTGSBVSJOCCTK-VMPITWQZSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[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,