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Substance Name: 2-Propenoic acid, 3-(4-(3-butyl-2,3,6,7-tetrahydro-1-methyl-2,6-dioxo-1H-purin-8-yl)phenyl)-,(E)-
RN: 106465-56-9
InChIKey: WZVIRIYNDZYBIL-JXMROGBWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N4-O4

Molecular Weight

  • 368.391
 
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Names and Synonyms

Synonym

  • (E)-4-(3-Butyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106465-56-9

System Generated Number

  • 0106465569

Structure Descriptors

InChI

1S/C19H20N4O4/c1-3-4-11-23-17-15(18(26)22(2)19(23)27)20-16(21-17)13-8-5-12(6-9-13)7-10-14(24)25/h5-10H,3-4,11H2,1-2H3,(H,20,21)(H,24,25)/b10-7+

InChIKey

WZVIRIYNDZYBIL-JXMROGBWSA-N

Smiles

CCCCn1c2c(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 > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5015647,