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Substance Name: Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-, butyl ester
RN: 32808-64-3
InChIKey: MEPWEGVTIOJJNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-Cl-O2

Molecular Weight

  • 310.862
 
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Names and Synonyms

Synonyms

  • 3-Chloro-4-(1,1-dimethylethyl)benzenebutanoic acid butyl ester
  • BRN 2140842
  • Butyl 3-chloro-4-(1,1-dimethylethyl)benzenebutanoate
  • CB 854

Systematic Name

  • Benzenebutanoic acid, 3-chloro-4-(1,1-dimethylethyl)-, butyl ester

Registry Numbers

CAS Registry Number

  • 32808-64-3

System Generated Number

  • 0032808643

Structure Descriptors

InChI

1S/C18H27ClO2/c1-5-6-12-21-17(20)9-7-8-14-10-11-15(16(19)13-14)18(2,3)4/h10-11,13H,5-9,12H2,1-4H3

InChIKey

MEPWEGVTIOJJNZ-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)C(C)(C)C)Cl)CCCC(=O)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1360, 1974.