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Substance Name: 9H-Purin-6-amine, N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)-
RN: 195252-47-2
InChIKey: HEOSGBAADACZLN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-F3-N5

Molecular Weight

  • 297.2826
 
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Names and Synonyms

Synonyms

  • 6-(Cyclopropylamino)-9-(cyclopropylmethyl)-2-(trifluoromethyl)-9H-purine
  • N-Cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)-9H-purin-6-amine

Systematic Name

  • 9H-Purin-6-amine, N-cyclopropyl-9-(cyclopropylmethyl)-2-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 195252-47-2

System Generated Number

  • 0195252472

Structure Descriptors

InChI

1S/C13H14F3N5/c14-13(15,16)12-19-10(18-8-3-4-8)9-11(20-12)21(6-17-9)5-7-1-2-7/h6-8H,1-5H2,(H,18,19,20)

InChIKey

HEOSGBAADACZLN-UHFFFAOYSA-N

Smiles

c1nc2c(nc(nc2n1CC3CC3)C(F)(F)F)NC4CC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 40, Pg. 3207, 1997.