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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,4-diphenyl-2,5-thiophenedicarboxylate(2:1)
RN: 19802-94-9
InChIKey: FQPWVYVMYMVYIC-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H44-N2-O4-S.2I

Molecular Weight

  • 806.576
 
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Names and Synonyms

Synonym

  • Diethyl(2-hydroxyethyl)methylammonium iodide 3,4-diphenyl-2,5-thiophenedicarboxylate (2:1)

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 3,4-diphenyl-2,5-thiophenedicarboxylate(2:1)

Registry Numbers

CAS Registry Number

  • 19802-94-9

System Generated Number

  • 0019802949

Molecular Formulas

Molecular Formula

  • C32-H44-N2-O4-S.2I

Molecular Formula Fragments

  • C32-H44-N2-O4-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C32H44N2O4S.2HI/c1-7-33(5,8-2)21-23-37-31(35)29-27(25-17-13-11-14-18-25)28(26-19-15-12-16-20-26)30(39-29)32(36)38-24-22-34(6,9-3)10-4;;/h11-20H,7-10,21-24H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

FQPWVYVMYMVYIC-UHFFFAOYSA-L

Smiles

c1(c(c(C(OCC[N+](CC)(CC)C)=O)sc1C(OCC[N+](CC)(CC)C)=O)c1ccccc1)c1ccccc1.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   Pharmazie. Vol. 23, Pg. 135, 1968.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Pharmazie. Vol. 23, Pg. 135, 1968.