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Substance Name: 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-2-thioxo-, (E)-
RN: 175675-60-2
InChIKey: OQTKQUDGGXERQW-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O3-S

Molecular Weight

  • 428.5542
 
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Names and Synonyms

Synonym

  • (E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropyl-2-thioxanthine

Systematic Name

  • 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-2-thioxo-, (E)-

Registry Numbers

CAS Registry Number

  • 175675-60-2

System Generated Number

  • 0175675602

Structure Descriptors

InChI

1S/C22H28N4O3S/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)30)24(3)18(23-20)11-9-15-8-10-16(28-4)17(14-15)29-5/h8-11,14H,6-7,12-13H2,1-5H3/b11-9+

InChIKey

OQTKQUDGGXERQW-PKNBQFBNSA-N

Smiles

CCCn1c2c(c(=O)n(c1=S)CCC)n(c(n2)/C=C/c3ccc(c(c3)OC)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,