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Substance Name: 1-Piperidinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate
RN: 102952-40-9
InChIKey: SSYYWAKZDBXCKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O2-S2.C6-H3-N3-O7

Molecular Weight

  • 590.6314
 
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Names and Synonyms

Synonym

  • alpha-Di-2-thienylmethylene-1-piperidinepropionic acid ethyl ester picrate

Systematic Name

  • 1-Piperidinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate

Registry Numbers

CAS Registry Number

  • 102952-40-9

System Generated Number

  • 0102952409

Molecular Formulas

Molecular Formula

  • C19-H23-N-O2-S2.C6-H3-N3-O7

Molecular Formula Fragments

  • C19-H23-N-O2-S2
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C19H23NO2S2.C6H3N3O7/c1-2-22-19(21)15(14-20-10-4-3-5-11-20)18(16-8-6-12-23-16)17-9-7-13-24-17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,12-13H,2-5,10-11,14H2,1H3;1-2,10H

InChIKey

SSYYWAKZDBXCKQ-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C(c1cccs1)c2cccs2)CN3CCCCC3.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 349mg/kg (349mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 421, 1961.