Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-((2-(4-(cyclohexylthio)phenyl)-1-ethoxy-2-oxoethyl)amino)-
RN: 53066-90-3
InChIKey: WNELFCKVNOHUAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O4-S

Molecular Weight

  • 413.5353
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-Cyclohexylthiophenylglyoxal-N-p-carboxyanilinoethoxy diacetal
  • BRN 2917500

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53066-90-3

System Generated Number

  • 0053066903

Structure Descriptors

InChI

1S/C23H27NO4S/c1-2-28-22(24-18-12-8-17(9-13-18)23(26)27)21(25)16-10-14-20(15-11-16)29-19-6-4-3-5-7-19/h8-15,19,22,24H,2-7H2,1H3,(H,26,27)

InChIKey

WNELFCKVNOHUAW-UHFFFAOYSA-N

Smiles

CCOC(C(=O)c1ccc(cc1)SC2CCCCC2)Nc3ccc(cc3)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.