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Substance Name: 1-Piperazineacetic acid, 4-(dithiocarboxy)-, 1-ethyl ester, compd. with ethyl 1-piperazineacetate (1:1)
RN: 29140-80-5
InChIKey: DADXTLAWWNOUPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O2-S2.C8-H16-N2-O2

Molecular Weight

  • 420.596
 
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Names and Synonyms

Synonym

  • 4-(Dithiocarboxy)-1-piperazineacetic acid 1-ethyl ester compd. with ethyl 1-piperazineacetate

Systematic Name

  • 1-Piperazineacetic acid, 4-(dithiocarboxy)-, 1-ethyl ester, compd. with ethyl 1-piperazineacetate (1:1)

Registry Numbers

CAS Registry Number

  • 29140-80-5

System Generated Number

  • 0029140805

Molecular Formulas

Molecular Formula

  • C9-H16-N2-O2-S2.C8-H16-N2-O2

Molecular Formula Fragments

  • C8-H16-N2-O2
  • C9-H16-N2-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H16N2O2S2.C8H16N2O2/c1-2-13-8(12)7-10-3-5-11(6-4-10)9(14)15;1-2-12-8(11)7-10-5-3-9-4-6-10/h2-7H2,1H3,(H,14,15);9H,2-7H2,1H3

InChIKey

DADXTLAWWNOUPG-UHFFFAOYSA-N

Smiles

N1(CCNCC1)CC(=O)OCC.N1(CCN(CC1)C(=S)S)CC(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 7, 1970.