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Substance Name: Alanine, N-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methyl-
RN: 90778-76-0
InChIKey: MRCJNZXCAHHFIB-GGWOSOGESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O5

Molecular Weight

  • 303.312
 
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Names and Synonyms

Synonym

  • N-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methylalanine

Systematic Name

  • Alanine, N-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 90778-76-0

System Generated Number

  • 0090778760

Structure Descriptors

InChI

1S/C16H17NO5/c1-16(2,15(19)20)17-14(18)6-4-3-5-11-7-8-12-13(9-11)22-10-21-12/h3-9H,10H2,1-2H3,(H,17,18)(H,19,20)/b5-3+,6-4+

InChIKey

MRCJNZXCAHHFIB-GGWOSOGESA-N

Smiles

c12c(ccc(c1)\C=C\C=C\C(NC(C(O)=O)(C)C)=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakhak Hoe Chi. Journal of the Pharmaceutical Society. Vol. 27, Pg. 289, 1983.