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Substance Name: Benzamide, 3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-N-(1,1-dimethylethyl)-4-propoxy-
RN: 66975-70-0
InChIKey: DTQHKWTWSFJNQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N6-O3

Molecular Weight

  • 370.4108
 
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Names and Synonyms

Synonym

  • 2-(5-N-t-Butylcarbamoyl-2-propoxyphenyl)-8-azapurin-6-one

Systematic Name

  • Benzamide, 3-(4,7-dihydro-7-oxo-1H-1,2,3-triazolo(4,5-d)pyrimidin-5-yl)-N-(1,1-dimethylethyl)-4-propoxy-

Registry Numbers

CAS Registry Number

  • 66975-70-0

System Generated Number

  • 0066975700

Structure Descriptors

InChI

1S/C18H22N6O3/c1-5-8-27-12-7-6-10(16(25)21-18(2,3)4)9-11(12)14-19-15-13(17(26)20-14)22-24-23-15/h6-7,9H,5,8H2,1-4H3,(H,21,25)(H2,19,20,22,23,24,26)

InChIKey

DTQHKWTWSFJNQY-UHFFFAOYSA-N

Smiles

CCCOc1ccc(cc1c2[nH]c3c(c(=O)n2)[nH]nn3)C(=O)NC(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4167568,