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Substance Name: 4-Morpholinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate
RN: 102748-61-8
InChIKey: XIYUVIZPIDDWGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N-O3-S2.C6-H3-N3-O7

Molecular Weight

  • 592.6036
 
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Names and Synonyms

Synonym

  • alpha-Di-2-thienylmethylene-4-morpholinepropionic acid ethyl ester picrate

Systematic Name

  • 4-Morpholinepropionic acid, alpha-di-2-thienylmethylene-, ethyl ester, picrate

Registry Numbers

CAS Registry Number

  • 102748-61-8

System Generated Number

  • 0102748618

Molecular Formulas

Molecular Formula

  • C18-H21-N-O3-S2.C6-H3-N3-O7

Molecular Formula Fragments

  • C18-H21-N-O3-S2
  • C6-H3-N3-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21NO3S2.C6H3N3O7/c1-2-22-18(20)14(13-19-7-9-21-10-8-19)17(15-5-3-11-23-15)16-6-4-12-24-16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,11-12H,2,7-10,13H2,1H3;1-2,10H

InChIKey

XIYUVIZPIDDWGQ-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C(c1cccs1)c2cccs2)CN3CCOCC3.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 569mg/kg (569mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 421, 1961.