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Substance Name: (E)-8-(2,4-Dimethoxy-3-methylstyryl)caffeine
RN: 155271-25-3
InChIKey: ROUAPUNGPKQONG-CSKARUKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O4

Molecular Weight

  • 370.4068
 
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Names and Synonyms

Results Name

  • (E)-8-(2,4-Dimethoxy-3-methylstyryl)caffeine

Synonym

  • (E)-8-(2,4-Dimethoxy-3-methylstyryl)caffeine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3,7-trimethyl-,(E)-

Registry Numbers

CAS Registry Number

  • 155271-25-3

System Generated Number

  • 0155271253

Structure Descriptors

InChI

1S/C19H22N4O4/c1-11-13(26-5)9-7-12(16(11)27-6)8-10-14-20-17-15(21(14)2)18(24)23(4)19(25)22(17)3/h7-10H,1-6H3/b10-8+

InChIKey

ROUAPUNGPKQONG-CSKARUKUSA-N

Smiles

Cc1c(ccc(c1OC)/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3C)C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,