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Substance Name: Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 4-mercaptobutyric acid, hydrochloride
RN: 19213-25-3
InChIKey: CQRVOHIUVQUYHZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H13-N-O3-S2.Cl-H

Molecular Weight

  • 259.777
 
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Names and Synonyms

Synonym

  • Dithiocarbonic acid S-(2-aminoethyl) ester S-ester with 4-mercaptobutyric acid hydrochloride

Systematic Name

  • Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 4-mercaptobutyric acid, hydrochloride

Registry Numbers

CAS Registry Number

  • 19213-25-3

System Generated Number

  • 0019213253

Molecular Formulas

Molecular Formula

  • C7-H13-N-O3-S2.Cl-H

Molecular Formula Fragments

  • C7-H13-N-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H13NO3S2.ClH/c8-3-5-13-7(11)12-4-1-2-6(9)10;/h1-5,8H2,(H,9,10);1H

InChIKey

CQRVOHIUVQUYHZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1256, 1968.