Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Indole-3-carboxylic acid, 5-((bis(2-chloroethyl)amino)sulfonyl)-
RN: 120729-95-5
InChIKey: XNCVEGWDJODWJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Cl2-N2-O4-S

Molecular Weight

  • 365.2356
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-((Bis(2-chloroethyl)amino)sulfonyl)-1H-indole-3-carboxylic acid
  • BRN 3567059

Systematic Name

  • 1H-Indole-3-carboxylic acid, 5-((bis(2-chloroethyl)amino)sulfonyl)-

Registry Numbers

CAS Registry Number

  • 120729-95-5

System Generated Number

  • 0120729955

Structure Descriptors

InChI

1S/C13H14Cl2N2O4S/c14-3-5-17(6-4-15)22(20,21)9-1-2-12-10(7-9)11(8-16-12)13(18)19/h1-2,7-8,16H,3-6H2,(H,18,19)

InChIKey

XNCVEGWDJODWJT-UHFFFAOYSA-N

Smiles

c1cc2c(cc1S(=O)(=O)N(CCCl)CCCl)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.