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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-(((2-propynyloxy)amino)carbonyl)-, methyl ester
RN: 133147-13-4
InChIKey: IKWXCICVODTWPL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N3-O6

Molecular Weight

  • 385.3741
 
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Names and Synonyms

Synonym

  • BRN 4275222

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 133147-13-4

System Generated Number

  • 0133147134

Structure Descriptors

InChI

1S/C19H19N3O6/c1-5-9-28-21-18(23)15-11(2)20-12(3)16(19(24)27-4)17(15)13-7-6-8-14(10-13)22(25)26/h1,6-8,10,17,20H,9H2,2-4H3,(H,21,23)

InChIKey

IKWXCICVODTWPL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous > 200mg/kg (200mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral 900mg/kg (900mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.