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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-5-((cyclopropylamino)carbonyl)-4-(2-nitrophenyl)-, nonyl ester
RN: 110263-73-5
InChIKey: QGUNSQCBASFRLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H37-N3-O5

Molecular Weight

  • 483.6053
 
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Names and Synonyms

Synonym

  • Nonyl 2,6-dimethyl-3-cyclopropylaminocarbonyl-4-o-nitrophenyl-1,4-dihydropyridine-5-carboxyla

Systematic Name

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-5-((cyclopropylamino)carbonyl)-4-(2-nitrophenyl)-, nonyl ester

Registry Numbers

CAS Registry Number

  • 110263-73-5

System Generated Number

  • 0110263735

Structure Descriptors

InChI

1S/C27H37N3O5/c1-2-3-4-5-6-7-12-17-35-27(32)23-19-28-18-22(26(31)29-20-13-8-9-14-20)25(23)21-15-10-11-16-24(21)30(33)34/h10-11,15-16,18-20,25,28H,2-9,12-14,17H2,1H3,(H,29,31)

InChIKey

QGUNSQCBASFRLR-UHFFFAOYSA-N

Smiles

CCCCCCCCCOC(=O)C1=CNC=C(C1c2ccccc2[N+](=O)[O-])C(=O)NC3CCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 10mg/kg (10mg/kg)   United States Patent Document. Vol. #4874773,