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Substance Name: beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(4-methoxyphenyl)glycyl)-
RN: 71455-85-1
InChIKey: OSKGXJQNXSNBDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-Cl-N2-O5

Molecular Weight

  • 390.8211
 
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Names and Synonyms

Synonyms

  • N-(N-(4-Chlorobenzoyl)-N-(4-methoxyphenyl)glycyl)beta-alanine
  • N-(N-(p-Chlorobenzoyl)-2-(p-anisidino)acetyl)-3-aminopropionic acid

Systematic Name

  • beta-Alanine, N-(N-(4-chlorobenzoyl)-N-(4-methoxyphenyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 71455-85-1

System Generated Number

  • 0071455851

Structure Descriptors

InChI

1S/C19H19ClN2O5/c1-27-16-8-6-15(7-9-16)22(12-17(23)21-11-10-18(24)25)19(26)13-2-4-14(20)5-3-13/h2-9H,10-12H2,1H3,(H,21,23)(H,24,25)

InChIKey

OSKGXJQNXSNBDK-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)N(CC(=O)NCCC(=O)O)C(=O)c2ccc(cc2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   United States Patent Document. Vol. #4250183,