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Substance Name: Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride
RN: 107812-70-4
InChIKey: KFEQECQDNHDOAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H36-N2-O6-P.Cl

Molecular Weight

  • 671.1264
 
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Names and Synonyms

  • Phosphonium, ((3,5-bis(ethoxycarbonyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-2-pyridinyl)methyl)triphenyl-, chloride

Registry Numbers

CAS Registry Number

  • 107812-70-4

System Generated Number

  • 0107812704

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O6-P.Cl

Molecular Formula Fragments

  • C37-H36-N2-O6-P
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C37H35N2O6P.ClH/c1-4-44-36(40)33-26(3)38-32(35(37(41)45-5-2)34(33)27-16-15-17-28(24-27)39(42)43)25-46(29-18-9-6-10-19-29,30-20-11-7-12-21-30)31-22-13-8-14-23-31;/h6-24,34H,4-5,25H2,1-3H3;1H

InChIKey

KFEQECQDNHDOAO-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC)C[P+](c3ccccc3)(c4ccccc4)c5ccccc5)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4839348,