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Substance Name: Propanoic acid, 2-(4-acetyl-3-(methylthio)phenoxy)-2-methyl-, 1-methylethyl ester
RN: 42019-37-4
InChIKey: ZKNUQYXEVMJJGO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O4-S

Molecular Weight

  • 310.4118
 
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Names and Synonyms

Synonyms

  • 1-Methylethyl 2-(4-acetyl-3-(methylthio)phenoxy)-2-methylpropanoate
  • 2-(4-Acetyl-3-(methylthio)phenoxy)-2-methylpropanoic acid 1-methylethyl ester
  • BRN 2002636

Systematic Name

  • Propanoic acid, 2-(4-acetyl-3-(methylthio)phenoxy)-2-methyl-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 42019-37-4

System Generated Number

  • 0042019374

Structure Descriptors

InChI

1S/C16H22O4S/c1-10(2)19-15(18)16(4,5)20-12-7-8-13(11(3)17)14(9-12)21-6/h7-10H,1-6H3

InChIKey

ZKNUQYXEVMJJGO-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)C(C)(C)Oc1ccc(c(c1)SC)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 885, 1976.