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Substance Name: 1,3-Indandione, 2-(2-aminoethylthio)-2-hydroxy-, hydrochloride
RN: 21919-04-0
InChIKey: DSJWTSLBZKRKOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N-O3-S.Cl-H

Molecular Weight

  • 273.7388
 
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Names and Synonyms

Synonyms

  • 1,3-Indandione, 2-((2-aminoethyl)thio)-2-hydroxy-, hydrochloride
  • 2-Hydroxy-2-(2-aminoethylthio)indan-1,3-dione hydrochloride
  • NSC 139046

Systematic Names

  • 1,3-Indandione, 2-(2-aminoethylthio)-2-hydroxy-, hydrochloride
  • 1H-Indene-1,3(2H)-dione, 2-((2-aminoethyl)thio)-2-hydroxy-, hydrochloride (9CI)

Registry Numbers

CAS Registry Number

  • 21919-04-0

System Generated Number

  • 0021919040

Molecular Formulas

Molecular Formula

  • C11-H11-N-O3-S.Cl-H

Molecular Formula Fragments

  • C11-H11-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H11NO3S.ClH/c12-5-6-16-11(15)9(13)7-3-1-2-4-8(7)10(11)14;/h1-4,15H,5-6,12H2;1H

InChIKey

DSJWTSLBZKRKOR-UHFFFAOYSA-N

Smiles

Cl.NCCSC1(O)C(=O)c2ccccc2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 93mg/kg (93mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 624, 1969.