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Substance Name: 1-Piperazinecarboxylic acid, 4-((3-(methylthio)phenyl)methyl)-, ethyl ester, (Z)-2-butenedioate (1:1)
RN: 59083-87-3
InChIKey: KQGBYDVCDXBDFQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O2-S.C4-H4-O4

Molecular Weight

  • 410.4884
 
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Names and Synonyms

  • 1-Piperazinecarboxylic acid, 4-((3-(methylthio)phenyl)methyl)-, ethyl ester, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 59083-87-3

System Generated Number

  • 0059083873

Molecular Formulas

Molecular Formula

  • C15-H22-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C15-H22-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H22N2O2S.C4H4O4/c1-3-19-15(18)17-9-7-16(8-10-17)12-13-5-4-6-14(11-13)20-2;5-3(6)1-2-4(7)8/h4-6,11H,3,7-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KQGBYDVCDXBDFQ-WLHGVMLRSA-N

Smiles

CCOC(=O)N1CCN(CC1)Cc2cccc(c2)SC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 125mg/kg (125mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3904, 1975.