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Substance Name: Pyridinium, 4,4',4''-(phosphinylidynetri-2,1-ethanediyl)tris(1-ethyl-, triiodide
RN: 172421-42-0
InChIKey: MYGFCVWMALLUJH-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H39-N3-O-P.3I

Molecular Weight

  • 833.2991
 
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Names and Synonyms

Synonym

  • 4,4',4''-(Phosphinylidynetri-2,1-ethanediyl)tris(1-ethylpyridinium) triiodide

Systematic Name

  • Pyridinium, 4,4',4''-(phosphinylidynetri-2,1-ethanediyl)tris(1-ethyl-, triiodide

Registry Numbers

CAS Registry Number

  • 172421-42-0

System Generated Number

  • 0172421420

Molecular Formulas

Molecular Formula

  • C27-H39-N3-O-P.3I

Molecular Formula Fragments

  • C27-H39-N3-O-P
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H39N3OP.3HI/c1-4-28-16-7-25(8-17-28)13-22-32(31,23-14-26-9-18-29(5-2)19-10-26)24-15-27-11-20-30(6-3)21-12-27;;;/h7-12,16-21H,4-6,13-15,22-24H2,1-3H3;3*1H/q+3;;;/p-3

InChIKey

MYGFCVWMALLUJH-UHFFFAOYSA-K

Smiles

CC[n+]1ccc(cc1)CCP(=O)(CCc2cc[n+](cc2)CC)CCc3cc[n+](cc3)CC.[I-].[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18200ug/kg (18.2mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 654, 1994.