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Substance Name: Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-
RN: 76812-17-4
InChIKey: PJIGIAQJUYJHBG-LBPRGKRZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-Cl-N2-O5

Molecular Weight

  • 428.8699
 
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Names and Synonyms

Synonyms

  • N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-DL-alanine
  • N-Indomethacyl-D,L-alanine

Systematic Name

  • Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-, DL-

Registry Numbers

CAS Registry Number

  • 76812-17-4

System Generated Number

  • 0076812174

Structure Descriptors

InChI

1S/C22H21ClN2O5/c1-12(22(28)29)24-20(26)11-17-13(2)25(19-9-8-16(30-3)10-18(17)19)21(27)14-4-6-15(23)7-5-14/h4-10,12H,11H2,1-3H3,(H,24,26)(H,28,29)/t12-/m0/s1

InChIKey

PJIGIAQJUYJHBG-LBPRGKRZSA-N

Smiles

Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)N[C@@H](C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 265mg/kg (265mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 149, 1986.