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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
RN: 133147-25-8
InChIKey: DDQRYSJOYPWCFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H34-Cl-N5-O6

Molecular Weight

  • 584.0696
 
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Names and Synonyms

Synonym

  • BRN 4283869

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 133147-25-8

System Generated Number

  • 0133147258

Structure Descriptors

InChI

1S/C29H34ClN5O6/c1-4-41-32-28(36)25-19(2)31-20(3)26(27(25)21-6-5-7-24(18-21)35(38)39)29(37)40-17-16-33-12-14-34(15-13-33)23-10-8-22(30)9-11-23/h5-11,18,27,31H,4,12-17H2,1-3H3,(H,32,36)

InChIKey

DDQRYSJOYPWCFE-UHFFFAOYSA-N

Smiles

CCONC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN3CCN(CC3)c4ccc(cc4)Cl)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous 140mg/kg (140mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.