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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((3,4-dimethoxyphenyl)methylene)-6,8,9-trimethyl-
RN: 124392-67-2
InChIKey: FBMLEIHCLZOXIZ-BOPFTXTBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-O4

Molecular Weight

  • 352.4276
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-4-((3,4-dimethoxyphenyl)methylene)-6,8,9-trimethyl-1-benzoxepin-5(2H)-one
  • BRN 4539727

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((3,4-dimethoxyphenyl)methylene)-6,8,9-trimethyl-

Registry Numbers

CAS Registry Number

  • 124392-67-2

System Generated Number

  • 0124392672

Structure Descriptors

InChI

1S/C22H24O4/c1-13-10-14(2)20-21(23)17(8-9-26-22(20)15(13)3)11-16-6-7-18(24-4)19(12-16)25-5/h6-7,10-12H,8-9H2,1-5H3/b17-11-

InChIKey

FBMLEIHCLZOXIZ-BOPFTXTBSA-N

Smiles

Cc1cc(c2c(c1C)OCC/C(=C/c3ccc(c(c3)OC)OC)/C2=O)C

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.