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Substance Name: Benzeneacetic acid, 4-(4-(3,4-dimethoxyphenyl)-5-ethoxy-2-oxazolyl)-
RN: 80589-77-1
InChIKey: LGFFEXTXJIESOO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O6

Molecular Weight

  • 383.3979
 
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Names and Synonyms

Synonyms

  • 4-(4-(3,4-Dimethoxyphenyl)-5-ethoxy-2-oxazolyl)benzeneacetic acid
  • BRN 4584626

Systematic Name

  • Benzeneacetic acid, 4-(4-(3,4-dimethoxyphenyl)-5-ethoxy-2-oxazolyl)-

Registry Numbers

CAS Registry Number

  • 80589-77-1

System Generated Number

  • 0080589771

Structure Descriptors

InChI

1S/C21H21NO6/c1-4-27-21-19(15-9-10-16(25-2)17(12-15)26-3)22-20(28-21)14-7-5-13(6-8-14)11-18(23)24/h5-10,12H,4,11H2,1-3H3,(H,23,24)

InChIKey

LGFFEXTXJIESOO-UHFFFAOYSA-N

Smiles

CCOc1c(nc(o1)c2ccc(cc2)CC(=O)O)c3ccc(c(c3)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 333mg/kg (333mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 891, 1981.