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Substance Name: Butanoic acid, 3-((3,4-dichlorobenzoyl)amino)-4-((3-methoxypropyl)pentylamino)-4-oxo-, (+-)-
RN: 111106-29-7
InChIKey: OOAHJPSFFMFEKA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-Cl2-N2-O5

Molecular Weight

  • 447.3562
 
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Names and Synonyms

Synonym

  • (+-)-3-((3,4-Dichlorobenzoyl)amino)-4-((3-methoxypropyl)pentylamino)-4-oxobutanoic acid

Systematic Name

  • Butanoic acid, 3-((3,4-dichlorobenzoyl)amino)-4-((3-methoxypropyl)pentylamino)-4-oxo-, (+-)-

Registry Numbers

CAS Registry Number

  • 111106-29-7

System Generated Number

  • 0111106297

Structure Descriptors

InChI

1S/C20H28Cl2N2O5/c1-3-4-5-9-24(10-6-11-29-2)20(28)17(13-18(25)26)23-19(27)14-7-8-15(21)16(22)12-14/h7-8,12,17H,3-6,9-11,13H2,1-2H3,(H,23,27)(H,25,26)

InChIKey

OOAHJPSFFMFEKA-UHFFFAOYSA-N

Smiles

CCCCCN(CCCOC)C(=O)C(CC(=O)O)NC(=O)c1ccc(c(c1)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 362mg/kg (362mg/kg)   United States Patent Document. Vol. #4769389,