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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(1-((1-methylethoxy)imino)ethyl)-4-(3-nitrophenyl)-, methyl ester
RN: 89541-42-4
InChIKey: XCMDMJSLODLBGB-UFFVCSGVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N3-O5

Molecular Weight

  • 387.4335
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 89541-42-4

System Generated Number

  • 0089541424

Structure Descriptors

InChI

1S/C20H25N3O5/c1-12(2)28-21-10-9-17-13(3)22-14(4)18(20(24)27-5)19(17)15-7-6-8-16(11-15)23(25)26/h6-8,10-12,17,19H,9H2,1-5H3/b21-10+

InChIKey

XCMDMJSLODLBGB-UFFVCSGVSA-N

Smiles

COC(=O)C1=C(C)N=C(C)C(C\C=N\OC(C)C)C1c2cccc(c2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27600ug/kg (27.6mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 697, 1987.