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Substance Name: Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride
RN: 22907-49-9
InChIKey: CXIJSNPYXKMAPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-N2-O4-S2.2Cl-H

Molecular Weight

  • 383.359
 
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Names and Synonyms

Synonym

  • Diethyl bis(2-aminoethylthio)malonate dihydrochloride

Systematic Name

  • Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 22907-49-9

System Generated Number

  • 0022907499

Molecular Formulas

Molecular Formula

  • C11-H22-N2-O4-S2.2Cl-H

Molecular Formula Fragments

  • C11-H22-N2-O4-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H22N2O4S2.2ClH/c1-3-16-9(14)11(18-7-5-12,19-8-6-13)10(15)17-4-2;;/h3-8,12-13H2,1-2H3;2*1H

InChIKey

CXIJSNPYXKMAPK-UHFFFAOYSA-N

Smiles

C(C(OCC)=O)(C(OCC)=O)(SCC[NH3+])SCC[NH3+].[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 360mg/kg (360mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 888, 1969.