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Substance Name: 1-Piperazinecarbodithioic acid, 4-phenethyl-, sodium salt, dihydrate
RN: 29140-62-3
InChIKey: PRLVVNUEECVVOH-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N2-S2.Na.2H2-O

Molecular Weight

  • 288.413
 
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Names and Synonyms

Synonym

  • 4-Phenethyl-1-piperazinecarbodithioic acid sodium salt dihydrate

Systematic Name

  • 1-Piperazinecarbodithioic acid, 4-phenethyl-, sodium salt, dihydrate

Registry Numbers

CAS Registry Number

  • 29140-62-3

System Generated Number

  • 0029140623

Molecular Formulas

Molecular Formula

  • C13-H17-N2-S2.Na.2H2-O

Molecular Formula Fragments

  • C13-H17-N2-S2
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C13H18N2S2.Na/c16-13(17)15-10-8-14(9-11-15)7-6-12-4-2-1-3-5-12;/h1-5H,6-11H2,(H,16,17);/q;+1/p-1

InChIKey

PRLVVNUEECVVOH-UHFFFAOYSA-M

Smiles

[Na+].N1(CCN(CC1)CCc1ccccc1)C([S-])=S

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.