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Substance Name: beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-
RN: 71455-87-3
InChIKey: REGANOKEQYEJEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-Cl-N2-O4

Molecular Weight

  • 388.8489
 
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Names and Synonyms

Synonyms

  • N-(N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)beta-alanine
  • N-(N-(p-Chlorobenzoyl)-2-(2,6-dimethylanilino)acetyl)-3-aminopropionic acid

Systematic Name

  • beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 71455-87-3

System Generated Number

  • 0071455873

Structure Descriptors

InChI

1S/C20H21ClN2O4/c1-13-4-3-5-14(2)19(13)23(12-17(24)22-11-10-18(25)26)20(27)15-6-8-16(21)9-7-15/h3-9H,10-12H2,1-2H3,(H,22,24)(H,25,26)

InChIKey

REGANOKEQYEJEF-UHFFFAOYSA-N

Smiles

Cc1cccc(c1N(CC(=O)NCCC(=O)O)C(=O)c2ccc(cc2)Cl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   United States Patent Document. Vol. #4250183,