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Substance Name: Benzenepropanoic acid, 2-(4-((4-(acetylamino)-1-oxobutyl)amino)-1-oxobutyl)-5-chloro-, ethyl ester
RN: 122186-88-3
InChIKey: NVLWSBXUBWDNTR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-Cl-N2-O5

Molecular Weight

  • 424.9221
 
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Names and Synonyms

Synonym

  • Ethyl 2-(4-(4-acetamidobutyramido)butyryl)-5-chlorohydrocinnamate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122186-88-3

System Generated Number

  • 0122186883

Structure Descriptors

InChI

1S/C21H29ClN2O5/c1-3-29-21(28)11-8-16-14-17(22)9-10-18(16)19(26)6-4-13-24-20(27)7-5-12-23-15(2)25/h9-10,14H,3-8,11-13H2,1-2H3,(H,23,25)(H,24,27)

InChIKey

NVLWSBXUBWDNTR-UHFFFAOYSA-N

Smiles

CCOC(=O)CCc1cc(ccc1C(=O)CCCNC(=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,