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Substance Name: beta-Alanine, N-(2-(acetylamino)-1-oxo-3-phenyl-2-propenyl)-
RN: 172798-48-0
InChIKey: HBRIEWKCLCBIIL-XFXZXTDPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O4

Molecular Weight

  • 276.2904
 
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Names and Synonyms

Synonym

  • N-(2-(Acetylamino)-1-oxo-3-phenyl-2-propenyl)beta-alanine

Systematic Name

  • beta-Alanine, N-(2-(acetylamino)-1-oxo-3-phenyl-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 172798-48-0

System Generated Number

  • 0172798480

Structure Descriptors

InChI

1S/C14H16N2O4/c1-10(17)16-12(9-11-5-3-2-4-6-11)14(20)15-8-7-13(18)19/h2-6,9H,7-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/b12-9-

InChIKey

HBRIEWKCLCBIIL-XFXZXTDPSA-N

Smiles

CC(=O)N/C(=C\c1ccccc1)/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.