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Substance Name: 3,5-Pyridinecarboxylic acid, 1,4-dihydro-2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-, diethyl ester
RN: 105435-14-1
InChIKey: BQZUKPLXYKHMHX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-O6

Molecular Weight

  • 408.8359
 
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Names and Synonyms

Synonym

  • 2-Chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

Systematic Name

  • 3,5-Pyridinecarboxylic acid, 1,4-dihydro-2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 105435-14-1

System Generated Number

  • 0105435141

Structure Descriptors

InChI

1S/C19H21ClN2O6/c1-4-27-18(23)15-11(3)21-14(10-20)17(19(24)28-5-2)16(15)12-7-6-8-13(9-12)22(25)26/h6-9,16,21H,4-5,10H2,1-3H3

InChIKey

BQZUKPLXYKHMHX-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCC)CCl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4839348,