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Substance Name: 1H-Indole-3-carboxylic acid, 5-((dimethylamino)sulfonyl)-
RN: 120729-91-1
InChIKey: YUNPDASQGRKYLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-N2-O4-S

Molecular Weight

  • 268.2918
 
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Names and Synonyms

Synonyms

  • 4-22-00-03532 (Beilstein Handbook Reference)
  • 5-((Dimethylamino)sulfonyl)-1H-indole-3-carboxylic acid
  • BRN 0029085

Systematic Name

  • 1H-Indole-3-carboxylic acid, 5-((dimethylamino)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 120729-91-1

System Generated Number

  • 0120729911

Structure Descriptors

InChI

1S/C11H12N2O4S/c1-13(2)18(16,17)7-3-4-10-8(5-7)9(6-12-10)11(14)15/h3-6,12H,1-2H3,(H,14,15)

InChIKey

YUNPDASQGRKYLO-UHFFFAOYSA-N

Smiles

CN(C)S(=O)(=O)c1ccc2c(c1)c(c[nH]2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 126, 1989.