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Substance Name: beta-Alanine, N-(2-((4-butoxybenzoyl)amino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)-
RN: 172798-57-1
InChIKey: PLQPVHDAKQRIDG-PGMHBOJBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-N2-O6

Molecular Weight

  • 440.4932
 
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Names and Synonyms

Synonym

  • N-(2-((4-Butoxybenzoyl)amino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)beta-alanine

Systematic Name

  • beta-Alanine, N-(2-((4-butoxybenzoyl)amino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 172798-57-1

System Generated Number

  • 0172798571

Structure Descriptors

InChI

1S/C24H28N2O6/c1-3-4-15-32-20-11-7-18(8-12-20)23(29)26-21(24(30)25-14-13-22(27)28)16-17-5-9-19(31-2)10-6-17/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/b21-16-

InChIKey

PLQPVHDAKQRIDG-PGMHBOJBSA-N

Smiles

CCCCOc1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)OC)/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.