Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, p-(3-((2-mercaptoethyl)amino)propyl)amino-, ethyl ester, S-ester with hydrogen thiosulfate
RN: 23563-78-2
InChIKey: UAAJQWHHGULTSL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O5-S2

Molecular Weight

  • 362.469
 
* 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

  • Ethanethiol, 2-(3-(p-ethoxycarbonylanilino)propylamino)-, S-ester with hydrogen thiosulfate
  • S-2-(2-(p-Ethoxycarbonylanilino)propylamino)ethyl hydrogen thiosulfate

Systematic Name

  • Benzoic acid, p-(3-((2-mercaptoethyl)amino)propyl)amino-, ethyl ester, S-ester with hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 23563-78-2

System Generated Number

  • 0023563782

Structure Descriptors

InChI

1S/C14H22N2O5S2/c1-2-21-14(17)12-4-6-13(7-5-12)16-9-3-8-15-10-11-22-23(18,19)20/h4-7,15-16H,2-3,8-11H2,1H3,(H,18,19,20)

InChIKey

UAAJQWHHGULTSL-UHFFFAOYSA-N

Smiles

c1(ccc(NCCCNCCSS(O)(=O)=O)cc1)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800mg/kg (1800mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 244, 1969.