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Substance Name: Benzoic acid, 4-((2-(4-(dodecylthio)phenyl)-1-ethoxy-2-oxoethyl)amino)-
RN: 53066-89-0
InChIKey: BCVYSVSLBNNDTQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H41-N-O4-S

Molecular Weight

  • 499.7119
 
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Names and Synonyms

Synonyms

  • 4-Laurylthiophenylglyoxal-N-p-carboxyanilinoethoxy diacetal
  • BRN 2923752

Systematic Name

  • Benzoic acid, 4-((2-(4-(dodecylthio)phenyl)-1-ethoxy-2-oxoethyl)amino)-

Registry Numbers

CAS Registry Number

  • 53066-89-0

System Generated Number

  • 0053066890

Structure Descriptors

InChI

1S/C29H41NO4S/c1-3-5-6-7-8-9-10-11-12-13-22-35-26-20-16-23(17-21-26)27(31)28(34-4-2)30-25-18-14-24(15-19-25)29(32)33/h14-21,28,30H,3-13,22H2,1-2H3,(H,32,33)

InChIKey

BCVYSVSLBNNDTQ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCSc1ccc(cc1)C(=O)C(Nc2ccc(cc2)C(=O)O)OCC

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.