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Substance Name: Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-, methyl ester
RN: 78868-48-1
InChIKey: YXOHVZBNDVEPAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-Cl-N-O3

Molecular Weight

  • 327.7656
 
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Names and Synonyms

Synonyms

  • 4-(5-p-Chlorophenylisoxazol-3-yl)phenylacetate
  • BRN 4521075

Systematic Name

  • Benzeneacetic acid, 4-(5-(4-chlorophenyl)-3-isoxazolyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 78868-48-1

System Generated Number

  • 0078868481

Structure Descriptors

InChI

1S/C18H14ClNO3/c1-22-18(21)10-12-2-4-13(5-3-12)16-11-17(23-20-16)14-6-8-15(19)9-7-14/h2-9,11H,10H2,1H3

InChIKey

YXOHVZBNDVEPAW-UHFFFAOYSA-N

Smiles

COC(=O)Cc1ccc(cc1)c2cc(on2)c3ccc(cc3)Cl

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. 20, Pg. 401, 1981.