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Substance Name: Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester
RN: 7272-58-4
InChIKey: VQLLFMATRGJDCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O3

Molecular Weight

  • 221.255
 
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Names and Synonyms

Synonyms

  • 4,5,6,7-Tetrahydro-3-methyl-4-oxo-indole-2-carboxylic acid ethyl ester
  • 5-22-06-00213 (Beilstein Handbook Reference)
  • BRN 0477542

Systematic Name

  • Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3-methyl-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 7272-58-4

System Generated Number

  • 0007272584

Structure Descriptors

InChI

1S/C12H15NO3/c1-3-16-12(15)11-7(2)10-8(13-11)5-4-6-9(10)14/h13H,3-6H2,1-2H3

InChIKey

VQLLFMATRGJDCH-UHFFFAOYSA-N

Smiles

c12c([nH]c(c1C)C(OCC)=O)CCCC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.