Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride
RN: 133147-21-4
InChIKey: FUTXEWGNWRYRIR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H37-N5-O6.Cl-H

Molecular Weight

  • 600.1122
 
* 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-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(((1-methylethoxy)amino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-phenyl-1-piperazinyl)ethyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 133147-21-4

System Generated Number

  • 0133147214

Molecular Formulas

Molecular Formula

  • C30-H37-N5-O6.Cl-H

Molecular Formula Fragments

  • C30-H37-N5-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H37N5O6.ClH/c1-20(2)41-32-29(36)26-21(3)31-22(4)27(28(26)23-9-8-12-25(19-23)35(38)39)30(37)40-18-17-33-13-15-34(16-14-33)24-10-6-5-7-11-24;/h5-12,19-20,28,31H,13-18H2,1-4H3,(H,32,36);1H

InChIKey

FUTXEWGNWRYRIR-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)c3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)NOC(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 intravenous 130mg/kg (130mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.
mouse LD50 oral 550mg/kg (550mg/kg)   Farmaco. Vol. 45, Pg. 1327, 1990.