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Substance Name: Propanedioic acid, (acetylamino)((5-methoxy-1H-indol-3-yl)methyl)-
RN: 54744-68-2
InChIKey: LFAGYUMIXBGLKO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N2-O6

Molecular Weight

  • 320.2994
 
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Names and Synonyms

Synonyms

  • (Acetylamino)((5-methoxy-1H-indol-3-yl)methyl)propanedioic acid
  • 5-22-14-00323 (Beilstein Handbook Reference)
  • BRN 0448351

Systematic Name

  • Propanedioic acid, (acetylamino)((5-methoxy-1H-indol-3-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 54744-68-2

System Generated Number

  • 0054744682

Structure Descriptors

InChI

1S/C15H16N2O6/c1-8(18)17-15(13(19)20,14(21)22)6-9-7-16-12-4-3-10(23-2)5-11(9)12/h3-5,7,16H,6H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)

InChIKey

LFAGYUMIXBGLKO-UHFFFAOYSA-N

Smiles

CC(=O)NC(Cc1c[nH]c2c1cc(cc2)OC)(C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 640mg/kg (640mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974.