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Substance Name: beta-Alanine, N-(2-(acetylamino)-3-(4-methoxyphenyl)-1-oxo-2-propenyl)-
RN: 172798-50-4
InChIKey: XBJBLALDXSAKCQ-LCYFTJDESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O5

Molecular Weight

  • 306.3162
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 172798-50-4

System Generated Number

  • 0172798504

Structure Descriptors

InChI

1S/C15H18N2O5/c1-10(18)17-13(15(21)16-8-7-14(19)20)9-11-3-5-12(22-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)/b13-9-

InChIKey

XBJBLALDXSAKCQ-LCYFTJDESA-N

Smiles

CC(=O)N/C(=C\c1ccc(cc1)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.