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Substance Name: Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)-
RN: 87270-38-0
InChIKey: XWAHPUCZLAPTPG-IBGZPJMESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-Cl-N2-O5-S

Molecular Weight

  • 474.9627
 
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Names and Synonyms

Synonyms

  • L-Cysteine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-S-methyl-
  • N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-(methylthio)alanine
  • N-Indomethacyl-S-methylcysteine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87270-38-0

System Generated Number

  • 0087270380

Structure Descriptors

InChI

1S/C23H23ClN2O5S/c1-13-17(11-21(27)25-19(12-32-3)23(29)30)18-10-16(31-2)8-9-20(18)26(13)22(28)14-4-6-15(24)7-5-14/h4-10,19H,11-12H2,1-3H3,(H,25,27)(H,29,30)/t19-/m0/s1

InChIKey

XWAHPUCZLAPTPG-IBGZPJMESA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 165mg/kg (165mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 38, Pg. 149, 1986.