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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-7-methyl-,(E)-
RN: 155271-57-1
InChIKey: CDNHSPOOIPWFPF-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N5-O5

Molecular Weight

  • 399.4049
 
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Names and Synonyms

Synonym

  • (E)-1,3-Diethyl-8-(3-methoxy-2-nitrostyryl)-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-methoxy-2-nitrophenyl)ethenyl)-7-methyl-,(E)-

Registry Numbers

CAS Registry Number

  • 155271-57-1

System Generated Number

  • 0155271571

Structure Descriptors

InChI

1S/C19H21N5O5/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)14(20-17)11-10-12-8-7-9-13(29-4)15(12)24(27)28/h7-11H,5-6H2,1-4H3/b11-10+

InChIKey

CDNHSPOOIPWFPF-ZHACJKMWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3[N+](=O)[O-])OC)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,