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Substance Name: Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
RN: 109187-85-1
InChIKey: QFOVGIPFQUOWSD-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N2-O2-S.Cl

Molecular Weight

  • 304.8399
 
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Names and Synonyms

Synonym

  • 4-Carboxy-1-methyl-1-(2-thenyl)piperazinium chloride ethyl ester

Systematic Name

  • Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester

Registry Numbers

CAS Registry Number

  • 109187-85-1

System Generated Number

  • 0109187851

Molecular Formulas

Molecular Formula

  • C13-H21-N2-O2-S.Cl

Molecular Formula Fragments

  • C13-H21-N2-O2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21N2O2S.ClH/c1-3-17-13(16)14-6-8-15(2,9-7-14)11-12-5-4-10-18-12;/h4-5,10H,3,6-9,11H2,1-2H3;1H/q+1;/p-1

InChIKey

QFOVGIPFQUOWSD-UHFFFAOYSA-M

Smiles

CCOC(=O)N1CC[N+](CC1)(C)Cc2cccs2.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 10gm/kg (10000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 347, 1957.