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Substance Name: Benzamide, N-7H-purin-6-yl-2,3,5,6-tetramethyl-
RN: 36855-75-1
InChIKey: BMJQDTHMGPBYIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N5-O

Molecular Weight

  • 295.344
 
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Names and Synonyms

Synonyms

  • BRN 1149331
  • N-(2,3,5,6-Tetramethylbenzoyl)adenine
  • N-7H-Purin-6-yl-2,3,5,6-tetramethylbenzamide

Systematic Name

  • Benzamide, N-7H-purin-6-yl-2,3,5,6-tetramethyl-

Registry Numbers

CAS Registry Number

  • 36855-75-1

System Generated Number

  • 0036855751

Structure Descriptors

InChI

1S/C16H17N5O/c1-8-5-9(2)11(4)12(10(8)3)16(22)21-15-13-14(18-6-17-13)19-7-20-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)

InChIKey

BMJQDTHMGPBYIP-UHFFFAOYSA-N

Smiles

C(c1c(c(cc(c1C)C)C)C)(=O)Nc1[nH]cnc2ncnc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 963, 1971.