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Substance Name: 2H-(1)Benzoxepino(5,4-c)pyrazole, 4,5-dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-
RN: 124392-80-9
InChIKey: IGTUJRBXLYZCRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O2

Molecular Weight

  • 320.39
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-8,9-dimethyl-3-(4-methoxyphenyl)-2H-(1)benzoxepino(5,4-c)pyrazole
  • BRN 4547003

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 124392-80-9

System Generated Number

  • 0124392809

Structure Descriptors

InChI

1S/C20H20N2O2/c1-12-10-17-18(11-13(12)2)24-9-8-16-19(21-22-20(16)17)14-4-6-15(23-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,21,22)

InChIKey

IGTUJRBXLYZCRQ-UHFFFAOYSA-N

Smiles

Cc1cc-2c(cc1C)OCCc3c2n[nH]c3c4ccc(cc4)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 37, 1989.