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Substance Name: beta-Alanine, N-(2-((4-(2-methylpropoxy)benzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-
RN: 172798-58-2
InChIKey: SWWAGURWRVZPNE-ZHZULCJRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-N2-O5

Molecular Weight

  • 410.4674
 
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Names and Synonyms

Synonym

  • N-(2-((4-(2-Methylpropoxy)benzoyl)amino)-1-oxo-3-phenyl-2-propenyl)beta-alanine

Systematic Name

  • beta-Alanine, N-(2-((4-(2-methylpropoxy)benzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 172798-58-2

System Generated Number

  • 0172798582

Structure Descriptors

InChI

1S/C23H26N2O5/c1-16(2)15-30-19-10-8-18(9-11-19)22(28)25-20(14-17-6-4-3-5-7-17)23(29)24-13-12-21(26)27/h3-11,14,16H,12-13,15H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)/b20-14-

InChIKey

SWWAGURWRVZPNE-ZHZULCJRSA-N

Smiles

CC(C)COc1ccc(cc1)C(=O)N/C(=C\c2ccccc2)/C(=O)NCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 200, 1995.