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Substance Name: Benzenepropanoic acid, 2-(4-(acetylamino)-1-oxobutyl)-5-chloro-, 1-methylethyl ester
RN: 122199-01-3
InChIKey: ZFKWRQUCLXBKNL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-Cl-N-O4

Molecular Weight

  • 353.8436
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122199-01-3

System Generated Number

  • 0122199013

Structure Descriptors

InChI

1S/C18H24ClNO4/c1-12(2)24-18(23)9-6-14-11-15(19)7-8-16(14)17(22)5-4-10-20-13(3)21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,20,21)

InChIKey

ZFKWRQUCLXBKNL-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CCc1cc(ccc1C(=O)CCCNC(=O)C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #5017608,