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Substance Name: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(4-chloro-3-nitrophenyl)-6-(1-pyrrolidinyl)-
RN: 87540-12-3
InChIKey: PQUZJMDHHOCOHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H15-Cl-N6-O2

Molecular Weight

  • 394.8205
 
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Names and Synonyms

Synonyms

  • 3-(4-Chloro-3-nitrophenyl)-6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazine
  • BRN 6447192

Systematic Name

  • 1,2,4-Triazolo(3,4-a)phthalazine, 3-(4-chloro-3-nitrophenyl)-6-(1-pyrrolidinyl)-

Registry Numbers

CAS Registry Number

  • 87540-12-3

System Generated Number

  • 0087540123

Structure Descriptors

InChI

1S/C19H15ClN6O2/c20-15-8-7-12(11-16(15)26(27)28)17-21-22-18-13-5-1-2-6-14(13)19(23-25(17)18)24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10H2

InChIKey

PQUZJMDHHOCOHZ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c3nnc(n3nc2N4CCCC4)c5ccc(c(c5)[N+](=O)[O-])Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1115, 1988.