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Substance Name: 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-
RN: 124392-65-0
InChIKey: IJPMPMHZDAYRMP-PTNGSMBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H17-Cl-O2

Molecular Weight

  • 312.7943
 
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Names and Synonyms

Synonyms

  • 3,4-Dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-1-benzoxepin-5(2H)-one
  • BRN 4492086

Systematic Name

  • 1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-chlorophenyl)methylene)-7,8-dimethyl-

Registry Numbers

CAS Registry Number

  • 124392-65-0

System Generated Number

  • 0124392650

Structure Descriptors

InChI

1S/C19H17ClO2/c1-12-9-17-18(10-13(12)2)22-8-7-15(19(17)21)11-14-3-5-16(20)6-4-14/h3-6,9-11H,7-8H2,1-2H3/b15-11-

InChIKey

IJPMPMHZDAYRMP-PTNGSMBKSA-N

Smiles

Cc1cc2c(cc1C)OCC/C(=C/c3ccc(cc3)Cl)/C2=O

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.