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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, methyl ester
RN: 133147-12-3
InChIKey: KBCOFDSGMIMDKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O6

Molecular Weight

  • 389.4057
 
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Names and Synonyms

Synonym

  • BRN 4275223

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133147-12-3

System Generated Number

  • 0133147123

Structure Descriptors

InChI

1S/C19H23N3O6/c1-10(2)28-21-18(23)15-11(3)20-12(4)16(19(24)27-5)17(15)13-7-6-8-14(9-13)22(25)26/h6-10,17,20H,1-5H3,(H,21,23)

InChIKey

KBCOFDSGMIMDKQ-UHFFFAOYSA-N

Smiles

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

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 > 200mg/kg (200mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.