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Substance Name: Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate
RN: 102751-39-3
InChIKey: YLDASBGFJKIZPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O2-S2.C6-H3-N3-O7

Molecular Weight

  • 550.567
 
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Names and Synonyms

Synonym

  • 2-(Dimethylaminomethyl)-3,3-di-2-thienylacrylic acid ethyl ester picrate

Systematic Name

  • Acrylic acid, 2-(dimethylaminomethyl)-3,3-di-2-thienyl-, ethyl ester, picrate

Registry Numbers

CAS Registry Number

  • 102751-39-3

System Generated Number

  • 0102751393

Molecular Formulas

Molecular Formula

  • C16-H19-N-O2-S2.C6-H3-N3-O7

Molecular Formula Fragments

  • C16-H19-N-O2-S2
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NO2S2.C6H3N3O7/c1-4-19-16(18)12(11-17(2)3)15(13-7-5-9-20-13)14-8-6-10-21-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-10H,4,11H2,1-3H3;1-2,10H

InChIKey

YLDASBGFJKIZPR-UHFFFAOYSA-N

Smiles

C(=C(\C(OCC)=O)C[NH+](C)C)(\c1sccc1)c1cccs1.c1(c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 429mg/kg (429mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 421, 1961.