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Substance Name: beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-
RN: 172798-59-3
InChIKey: ZQWUDIOCFORJQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O4

Molecular Weight

  • 290.3172
 
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Names and Synonyms

Synonym

  • N-(2-(Benzoylamino)-3-methyl-1-oxo-2-butenyl)beta-alanine

Systematic Name

  • beta-Alanine, N-(2-(benzoylamino)-3-methyl-1-oxo-2-butenyl)-

Registry Numbers

CAS Registry Number

  • 172798-59-3

System Generated Number

  • 0172798593

Structure Descriptors

InChI

1S/C15H18N2O4/c1-10(2)13(15(21)16-9-8-12(18)19)17-14(20)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)

InChIKey

ZQWUDIOCFORJQL-UHFFFAOYSA-N

Smiles

CC(=C(C(=O)NCCC(=O)O)NC(=O)c1ccccc1)C

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.