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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(4-azidobutoxy)phenyl)ethenyl)-1,3-diethyl-7-methyl-,(E)-
RN: 155272-08-5
InChIKey: QCXDXVHIKIHFNU-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N7-O3

Molecular Weight

  • 437.5013
 
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Names and Synonyms

Synonym

  • (E)-8-(4-(4-Azidobutoxy)styryl)-1,3-diethyl-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(4-azidobutoxy)phenyl)ethenyl)-1,3-diethyl-7-methyl-,(E)-

Registry Numbers

CAS Registry Number

  • 155272-08-5

System Generated Number

  • 0155272085

Structure Descriptors

InChI

1S/C22H27N7O3/c1-4-28-20-19(21(30)29(5-2)22(28)31)27(3)18(25-20)13-10-16-8-11-17(12-9-16)32-15-7-6-14-24-26-23/h8-13H,4-7,14-15H2,1-3H3/b13-10+

InChIKey

QCXDXVHIKIHFNU-JLHYYAGUSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(cc3)OCCCCN=[N+]=[N-])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,