Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl2-(methyl(phenylmethyl)amino)ethyl ester, hydrochloride, hydrate (2:2:1)
RN: 109232-81-7
InChIKey: WIDHYLBPVQXVPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H33-N3-O6.Cl-H.1/2H2-O

Molecular Weight

  • 556.0556
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl2-(methyl(phenylmethyl)amino)ethyl ester, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 109232-81-7

System Generated Number

  • 0109232817

Molecular Formulas

Molecular Formula

  • C29-H33-N3-O6.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C29-H33-N3-O6
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H33N3O6.ClH/c1-19-25(28(33)37-15-14-31(3)17-21-8-5-4-6-9-21)27(23-10-7-11-24(16-23)32(35)36)26(20(2)30-19)29(34)38-18-22-12-13-22;/h4-11,16,22,27,30H,12-15,17-18H2,1-3H3;1H

InChIKey

WIDHYLBPVQXVPK-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCC2CC2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCN(C)Cc4ccccc4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 211mg/kg (211mg/kg)   United States Patent Document. Vol. #4824855,