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Substance Name: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-
RN: 135445-86-2
InChIKey: IRDALKBZZCVJJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-F3-N6-O

Molecular Weight

  • 376.3405
 
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Names and Synonyms

  • 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-6-propyl-3-(4-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 135445-86-2

System Generated Number

  • 0135445862

Structure Descriptors

InChI

1S/C17H15F3N6O/c1-3-8-25-14-12(24(2)9-21-14)15-23-22-13(26(15)16(25)27)10-4-6-11(7-5-10)17(18,19)20/h4-7,9H,3,8H2,1-2H3

InChIKey

IRDALKBZZCVJJG-UHFFFAOYSA-N

Smiles

CCCn1c2c(c3nnc(n3c1=O)c4ccc(cc4)C(F)(F)F)n(cn2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5173492,