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Substance Name: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-
RN: 124405-82-9
InChIKey: LBISNZREDGWMHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H21-Cl-N2-O

Molecular Weight

  • 400.9069
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-2H-(1)benzoxepino(5,4-c)pyrazole
  • BRN 4578521

Systematic Name

  • 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-3-(4-chlorophenyl)-8,9-dimethyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 124405-82-9

System Generated Number

  • 0124405829

Structure Descriptors

InChI

1S/C25H21ClN2O/c1-16-14-22-23(15-17(16)2)29-13-12-21-24(22)27-28(20-6-4-3-5-7-20)25(21)18-8-10-19(26)11-9-18/h3-11,14-15H,12-13H2,1-2H3

InChIKey

LBISNZREDGWMHC-UHFFFAOYSA-N

Smiles

Cc1cc-2c(cc1C)OCCc3c2nn(c3c4ccc(cc4)Cl)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 681mg/kg (681mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 37, 1989.