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Substance Name: Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride
RN: 19213-27-5
InChIKey: QHYUSMGDAKIAHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H17-N-O3-S2.Cl-H

Molecular Weight

  • 287.83
 
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Names and Synonyms

Synonym

  • Dithiocarbonic acid S-(2-aminoethyl) ester S-ester with 6-mercaptohexanoic acid hydrochloride

Systematic Name

  • Carbonic acid, dithio-, S-(2-aminoethyl) ester, S-ester with 6-mercaptohexanoic acid, hydrochloride

Registry Numbers

CAS Registry Number

  • 19213-27-5

System Generated Number

  • 0019213275

Molecular Formulas

Molecular Formula

  • C9-H17-N-O3-S2.Cl-H

Molecular Formula Fragments

  • C9-H17-N-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H17NO3S2.ClH/c10-5-7-15-9(13)14-6-3-1-2-4-8(11)12;/h1-7,10H2,(H,11,12);1H

InChIKey

QHYUSMGDAKIAHK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1256, 1968.