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Substance Name: Butanoic acid, 4-((4-((2,6-dimethylphenyl)(3,4,5-trimethoxybenzoyl)amino)-1-oxobutyl)amino)-
RN: 71455-69-1
InChIKey: WERXNDIDOBSEFG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N2-O7

Molecular Weight

  • 486.5616
 
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Names and Synonyms

Synonyms

  • 4-((4-((2,6-Dimethylphenyl)(3,4,5-trimethoxybenzoyl)amino)-1-oxobutyl)amino)butanoic acid
  • N-(N-(3,4,5-Trimethoxybenzoyl)-4-(2,6-dimethylanilino)butyryl)-4-aminobutyric acid

Systematic Name

  • Butanoic acid, 4-((4-((2,6-dimethylphenyl)(3,4,5-trimethoxybenzoyl)amino)-1-oxobutyl)amino)-

Registry Numbers

CAS Registry Number

  • 71455-69-1

System Generated Number

  • 0071455691

Structure Descriptors

InChI

1S/C26H34N2O7/c1-17-9-6-10-18(2)24(17)28(14-8-11-22(29)27-13-7-12-23(30)31)26(32)19-15-20(33-3)25(35-5)21(16-19)34-4/h6,9-10,15-16H,7-8,11-14H2,1-5H3,(H,27,29)(H,30,31)

InChIKey

WERXNDIDOBSEFG-UHFFFAOYSA-N

Smiles

Cc1cccc(c1N(CCCC(=O)NCCCC(=O)O)C(=O)c2cc(c(c(c2)OC)OC)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4250183,