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Substance Name: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, nonyl ester
RN: 122186-95-2
InChIKey: FMMDYFHBIZWHQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-Cl-N-O4

Molecular Weight

  • 438.0044
 
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Names and Synonyms

Synonyms

  • Nonyl 2-(4-(acetylamino)-1-oxobutyl)-5-chlorobenzenepropanoate
  • Nonyl 2-(4-acetamidobutyryl)-5-chlorohydrocinnamate

Systematic Name

  • Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, nonyl ester

Registry Numbers

CAS Registry Number

  • 122186-95-2

System Generated Number

  • 0122186952

Structure Descriptors

InChI

1S/C24H36ClNO4/c1-3-4-5-6-7-8-9-17-30-24(29)15-12-20-18-21(25)13-14-22(20)23(28)11-10-16-26-19(2)27/h13-14,18H,3-12,15-17H2,1-2H3,(H,26,27)

InChIKey

FMMDYFHBIZWHQF-UHFFFAOYSA-N

Smiles

CCCCCCCCCOC(=O)CCc1cc(ccc1C(=O)CCCNC(=O)C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #5017608,