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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
RN: 133147-19-0
InChIKey: OBVQYAVKYLSLTN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O6

Molecular Weight

  • 429.4703
 
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Names and Synonyms

Synonym

  • BRN 4277878

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((cyclopentyloxy)methylamino)carbonyl)-4-(3-nitrophenyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 133147-19-0

System Generated Number

  • 0133147190

Structure Descriptors

InChI

1S/C22H27N3O6/c1-13-18(21(26)24(3)31-17-10-5-6-11-17)20(19(14(2)23-13)22(27)30-4)15-8-7-9-16(12-15)25(28)29/h7-9,12,17,20,23H,5-6,10-11H2,1-4H3

InChIKey

OBVQYAVKYLSLTN-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)N(C)OC3CCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous 160mg/kg (160mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.