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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester
RN: 133147-08-7
InChIKey: NULFNDAYNSXRDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N3-O6

Molecular Weight

  • 445.5129
 
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Names and Synonyms

Synonym

  • BRN 4277666

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((butoxyamino)carbonyl)-4-(3-nitrophenyl)-, 2-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 133147-08-7

System Generated Number

  • 0133147087

Structure Descriptors

InChI

1S/C23H31N3O6/c1-6-7-11-32-25-22(27)19-15(4)24-16(5)20(23(28)31-13-14(2)3)21(19)17-9-8-10-18(12-17)26(29)30/h8-10,12,14,21,24H,6-7,11,13H2,1-5H3,(H,25,27)

InChIKey

NULFNDAYNSXRDG-UHFFFAOYSA-N

Smiles

CCCCONC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC(C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 420mg/kg (420mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous 140mg/kg (140mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.