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Substance Name: 3-Pyridinecarboxylic acid, 1-(4-morpholinylmethyl)-2-(4-nitrophenoxy)ethyl ester
RN: 55315-91-8
InChIKey: PDENKPFGQMUZTH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O6

Molecular Weight

  • 387.3899
 
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Names and Synonyms

Synonyms

  • 1-(4-Morpholinylmethyl)-2-(4-nitrophenoxy)ethyl 3-pyridinecarboxylate
  • Nicotinate de morpholino-3 p.nitrophenoxy-1 propanol-2
  • Nicotinate de morpholino-3 p.nitrophenoxy-1 propanol-2 [French]

Systematic Name

  • 3-Pyridinecarboxylic acid, 1-(4-morpholinylmethyl)-2-(4-nitrophenoxy)ethyl ester

Registry Numbers

CAS Registry Number

  • 55315-91-8

System Generated Number

  • 0055315918

Structure Descriptors

InChI

1S/C19H21N3O6/c23-19(15-2-1-7-20-12-15)28-18(13-21-8-10-26-11-9-21)14-27-17-5-3-16(4-6-17)22(24)25/h1-7,12,18H,8-11,13-14H2

InChIKey

PDENKPFGQMUZTH-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(=O)OC(CN2CCOCC2)COc3ccc(cc3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 85mg/kg (85mg/kg)   French Demande Patent Document. Vol. #2223006,
mouse LD50 oral > 900mg/kg (900mg/kg)   French Demande Patent Document. Vol. #2223006,