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Substance Name: Benzoic acid, 4-((1-ethoxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)amino)-
RN: 53066-88-9
InChIKey: KIFQXXMLQBKWBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O4-S

Molecular Weight

  • 401.5243
 
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Names and Synonyms

Synonyms

  • 4-Isopentylthiophenylglyoxal-N-p-carboxyanilinoethoxy diacetal
  • BRN 2913820

Systematic Name

  • Benzoic acid, 4-((1-ethoxy-2-(4-((3-methylbutyl)thio)phenyl)-2-oxoethyl)amino)-

Registry Numbers

CAS Registry Number

  • 53066-88-9

System Generated Number

  • 0053066889

Structure Descriptors

InChI

1S/C22H27NO4S/c1-4-27-21(23-18-9-5-17(6-10-18)22(25)26)20(24)16-7-11-19(12-8-16)28-14-13-15(2)3/h5-12,15,21,23H,4,13-14H2,1-3H3,(H,25,26)

InChIKey

KIFQXXMLQBKWBZ-UHFFFAOYSA-N

Smiles

CCOC(C(=O)c1ccc(cc1)SCCC(C)C)Nc2ccc(cc2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Farmaco, Edizione Scientifica. Vol. 29, Pg. 473, 1974.