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Substance Name: Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 5-mercaptovaleric acid, hydrochloride
RN: 19213-26-4
InChIKey: BCVOAESRBBRLAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H15-N-O3-S2.Cl-H

Molecular Weight

  • 273.803
 
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Names and Synonyms

Synonym

  • Dithiocarbonic acid S-(2-aminoethyl) ester S-ester with 5-mercaptovaleric acid hydrochloride

Systematic Name

  • Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 5-mercaptovaleric acid, hydrochloride

Registry Numbers

CAS Registry Number

  • 19213-26-4

System Generated Number

  • 0019213264

Molecular Formulas

Molecular Formula

  • C8-H15-N-O3-S2.Cl-H

Molecular Formula Fragments

  • C8-H15-N-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H15NO3S2.ClH/c9-4-6-14-8(12)13-5-2-1-3-7(10)11;/h1-6,9H2,(H,10,11);1H

InChIKey

BCVOAESRBBRLAW-UHFFFAOYSA-N

Smiles

C(CCCCSC(=O)SCCN)(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1256, 1968.