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Substance Name: Propanoic acid, 2,2-dimethyl-, (2-(4-((4-chlorophenyl)methyl)phenoxy)-1-oxopropoxy)methyl ester, (+-)-
RN: 71548-85-1
InChIKey: WMBAYYKQOITSQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-O5

Molecular Weight

  • 404.8875
 
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Names and Synonyms

Synonyms

  • BRN 2020682
  • Sgd 235-74

Systematic Name

  • Propanoic acid, 2,2-dimethyl-, (2-(4-((4-chlorophenyl)methyl)phenoxy)-1-oxopropoxy)methyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 71548-85-1

System Generated Number

  • 0071548851

Structure Descriptors

InChI

1S/C22H25ClO5/c1-15(20(24)26-14-27-21(25)22(2,3)4)28-19-11-7-17(8-12-19)13-16-5-9-18(23)10-6-16/h5-12,15H,13-14H2,1-4H3

InChIKey

WMBAYYKQOITSQL-UHFFFAOYSA-N

Smiles

CC(C(=O)OCOC(=O)C(C)(C)C)Oc1ccc(cc1)Cc2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 711, 1979.