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Substance Name: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, ethyl ester
RN: 122199-02-4
InChIKey: KLHGVVMGPFOGGO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-Cl-N-O4

Molecular Weight

  • 339.8168
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122199-02-4

System Generated Number

  • 0122199024

Structure Descriptors

InChI

1S/C17H22ClNO4/c1-3-23-17(22)9-6-13-11-14(18)7-8-15(13)16(21)5-4-10-19-12(2)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)

InChIKey

KLHGVVMGPFOGGO-UHFFFAOYSA-N

Smiles

CCOC(=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,