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Substance Name: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-
RN: 124392-76-3
InChIKey: ZAJJDIQCYUMUDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-N2-O

Molecular Weight

  • 290.3642
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-9-methyl-3-(4-methylphenyl)-2H-(1)benzoxepino(5,4-c)pyrazole
  • BRN 4510902

Systematic Name

  • 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-9-methyl-3-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 124392-76-3

System Generated Number

  • 0124392763

Structure Descriptors

InChI

1S/C19H18N2O/c1-12-3-6-14(7-4-12)18-15-9-10-22-17-8-5-13(2)11-16(17)19(15)21-20-18/h3-8,11H,9-10H2,1-2H3,(H,20,21)

InChIKey

ZAJJDIQCYUMUDG-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2c3c(n[nH]2)-c4cc(ccc4OCC3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 37, 1989.