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Substance Name: Benzoic acid, p-((2-((2-mercaptoethyl)amino)ethyl)amino)-, ethyl ester, hydrogen sulfate (ester)
RN: 23563-77-1
InChIKey: XDJAPCFNIUEZDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O5-S2

Molecular Weight

  • 348.442
 
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Names and Synonyms

Synonyms

  • p-((2-((2-Mercaptoethyl)amino)ethyl)amino)benzoic acid ethyl ester hydrogen sulfate
  • S-2-(2-(p-Ethoxycarbonylanilino)ethylamino)ethyl hydrogenthiosulfate

Systematic Name

  • Benzoic acid, p-((2-((2-mercaptoethyl)amino)ethyl)amino)-, ethyl ester, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 23563-77-1

System Generated Number

  • 0023563771

Structure Descriptors

InChI

1S/C13H20N2O5S2/c16-13(5-9-20-22(17,18)19)11-1-3-12(4-2-11)15-7-6-14-8-10-21/h1-4,14-15,21H,5-10H2,(H,17,18,19)

InChIKey

XDJAPCFNIUEZDN-UHFFFAOYSA-N

Smiles

OS(=O)(=O)OCCC(c1ccc(cc1)NCCNCCS)=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.