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Substance Name: Benzeneacetic acid, alpha-methyl-4-((5-(1-oxopropyl)-2-furanyl)oxy)-, methyl ester
RN: 99834-92-1
InChIKey: BXQIXWRORDPESF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-O5

Molecular Weight

  • 302.3242
 
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Names and Synonyms

Synonyms

  • BRN 4532630
  • Methyl alpha-methyl-4-((5-(1-oxopropyl)-2-furanyl)oxy)benzeneacetate

Systematic Name

  • Benzeneacetic acid, alpha-methyl-4-((5-(1-oxopropyl)-2-furanyl)oxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 99834-92-1

System Generated Number

  • 0099834921

Structure Descriptors

InChI

1S/C17H18O5/c1-4-14(18)15-9-10-16(22-15)21-13-7-5-12(6-8-13)11(2)17(19)20-3/h5-11H,4H2,1-3H3

InChIKey

BXQIXWRORDPESF-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccc(o1)Oc2ccc(cc2)C(C)C(=O)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. 993, 1989.