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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-
RN: 57076-63-8
InChIKey: KTXQLVQIEDPKAS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N4-O3

Molecular Weight

  • 334.4174
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-1,3-dibutyl-7-(3-oxobutyl)-1H-purine-2,6-dione
  • 7-(3-Oxobutyl)-1,3-di-n-butylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dibutyl-7-(3-oxobutyl)-

Registry Numbers

CAS Registry Number

  • 57076-63-8

System Generated Number

  • 0057076638

Structure Descriptors

InChI

1S/C17H26N4O3/c1-4-6-9-20-15-14(19(12-18-15)11-8-13(3)22)16(23)21(17(20)24)10-7-5-2/h12H,4-11H2,1-3H3

InChIKey

KTXQLVQIEDPKAS-UHFFFAOYSA-N

Smiles

CCCCN1C(=O)N(CCCC)c2ncn(CCC(=O)C)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 134mg/kg (134mg/kg)   United States Patent Document. Vol. #4242345,
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4242345,