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Substance Name: 1-Piperazinepropionic acid, alpha-di-2-thienylmethylene-4-methyl-, ethyl ester, dipicrate
RN: 103278-63-3
InChIKey: WUKWYTQOMFMLDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N2-O2-S2.2C6-H3-N3-O7

Molecular Weight

  • 834.75
 
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Names and Synonyms

Synonym

  • alpha-Di-2-thienylmethylene-4-methyl-1-piperazinepropionic acid ethyl ester dipicrate

Systematic Name

  • 1-Piperazinepropionic acid, alpha-di-2-thienylmethylene-4-methyl-, ethyl ester, dipicrate

Registry Numbers

CAS Registry Number

  • 103278-63-3

System Generated Number

  • 0103278633

Molecular Formulas

Molecular Formula

  • C19-H24-N2-O2-S2.2C6-H3-N3-O7

Molecular Formula Fragments

  • C19-H24-N2-O2-S2
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24N2O2S2.2C6H3N3O7/c1-3-23-19(22)15(14-21-10-8-20(2)9-11-21)18(16-6-4-12-24-16)17-7-5-13-25-17;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7,12-13H,3,8-11,14H2,1-2H3;2*1-2,10H

InChIKey

WUKWYTQOMFMLDB-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C(c1cccs1)c2cccs2)CN3CCN(CC3)C.c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 239mg/kg (239mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 421, 1961.