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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride
RN: 133147-22-5
InChIKey: WSKKMNMQLWPTQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H41-N5-O6.Cl-H

Molecular Weight

  • 676.2098
 
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Names and Synonyms

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((methyl(phenylmethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(2-methylphenyl)-1-piperazinyl)ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 133147-22-5

System Generated Number

  • 0133147225

Molecular Formulas

Molecular Formula

  • C36-H41-N5-O6.Cl-H

Molecular Formula Fragments

  • C36-H41-N5-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H41N5O6.ClH/c1-25-11-8-9-16-31(25)40-19-17-39(18-20-40)21-22-46-36(43)33-27(3)37-26(2)32(34(33)29-14-10-15-30(23-29)41(44)45)35(42)38(4)47-24-28-12-6-5-7-13-28;/h5-16,23,34,37H,17-22,24H2,1-4H3;1H

InChIKey

WSKKMNMQLWPTQL-UHFFFAOYSA-N

Smiles

Cc1ccccc1N2CCN(CC2)CCOC(=O)C3=C(NC(=C(C3c4cccc(c4)[N+](=O)[O-])C(=O)N(C)OCc5ccccc5)C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous 75mg/kg (75mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral 900mg/kg (900mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.