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Substance Name: 1,2,4-Triazolo(3,4-a)phthalazine, 6-(1-pyrrolidinyl)-3-(3-(trifluoromethyl)phenyl)-
RN: 87540-20-3
InChIKey: BGAQQIDBIMBGGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-F3-N5

Molecular Weight

  • 383.3754
 
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Names and Synonyms

Synonyms

  • 6-(1-Pyrrolidinyl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(3,4-a)phthalazine
  • BRN 6445976

Systematic Name

  • 1,2,4-Triazolo(3,4-a)phthalazine, 6-(1-pyrrolidinyl)-3-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 87540-20-3

System Generated Number

  • 0087540203

Structure Descriptors

InChI

1S/C20H16F3N5/c21-20(22,23)14-7-5-6-13(12-14)17-24-25-18-15-8-1-2-9-16(15)19(26-28(17)18)27-10-3-4-11-27/h1-2,5-9,12H,3-4,10-11H2

InChIKey

BGAQQIDBIMBGGU-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c3nnc(n3nc2N4CCCC4)c5cccc(c5)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1115, 1988.