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Substance Name: Butanoic acid, 4-((3-((4-chlorobenzoyl)(2,6-dimethylphenyl)amino)-1-oxopropyl)(4-methoxyphenyl)amino)-
RN: 71455-71-5
InChIKey: XFGKONPVYWPLNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-Cl-N2-O5

Molecular Weight

  • 523.0259
 
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Names and Synonyms

Synonym

  • N-(N-(p-Chlorobenzoyl)-3-(2,6-dimethylanilino)propionyl)-4-(p-anisidino)butyric acid

Systematic Name

  • Butanoic acid, 4-((3-((4-chlorobenzoyl)(2,6-dimethylphenyl)amino)-1-oxopropyl)(4-methoxyphenyl)amino)-

Registry Numbers

CAS Registry Number

  • 71455-71-5

System Generated Number

  • 0071455715

Structure Descriptors

InChI

1S/C29H31ClN2O5/c1-20-6-4-7-21(2)28(20)32(29(36)22-9-11-23(30)12-10-22)19-17-26(33)31(18-5-8-27(34)35)24-13-15-25(37-3)16-14-24/h4,6-7,9-16H,5,8,17-19H2,1-3H3,(H,34,35)

InChIKey

XFGKONPVYWPLNT-UHFFFAOYSA-N

Smiles

Cc1cccc(c1N(CCC(=O)N(CCCC(=O)O)c2ccc(cc2)OC)C(=O)c3ccc(cc3)Cl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   United States Patent Document. Vol. #4250183,