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Substance Name: Piperazine, 1-((2-oxo-1-pyrrolidinyl)acetyl)-4-(2-(phenylthio)ethyl)-, (Z)-2-butenedioate (1:1)
RN: 131028-21-2
InChIKey: BSZWMXIWSHCMPF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N3-O2-S.C4-H4-O4

Molecular Weight

  • 463.5521
 
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Names and Synonyms

  • Piperazine, 1-((2-oxo-1-pyrrolidinyl)acetyl)-4-(2-(phenylthio)ethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 131028-21-2

System Generated Number

  • 0131028212

Molecular Formulas

Molecular Formula

  • C18-H25-N3-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H25-N3-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25N3O2S.C4H4O4/c22-17-7-4-8-21(17)15-18(23)20-11-9-19(10-12-20)13-14-24-16-5-2-1-3-6-16;5-3(6)1-2-4(7)8/h1-3,5-6H,4,7-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BSZWMXIWSHCMPF-WLHGVMLRSA-N

Smiles

c1ccc(cc1)SCCN2CCN(CC2)C(=O)CN3CCCC3=O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1613, 1990.