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Substance Name: 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, diethyl ester, dihydrochloride
RN: 68484-12-8
InChIKey: PUCCXNVMLYTJPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N2-O5.2Cl-H

Molecular Weight

  • 501.4476
 
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Names and Synonyms

Synonym

  • Diethyl 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-3,4-pyridinedicarboxylate 2HCl

Systematic Name

  • 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, diethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 68484-12-8

System Generated Number

  • 0068484128

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O5.2Cl-H

Molecular Formula Fragments

  • C24-H32-N2-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O5.2ClH/c1-6-29-23(27)20-19(16-18-12-9-8-10-13-18)25-17(3)22(21(20)24(28)30-7-2)31-15-11-14-26(4)5;;/h8-10,12-13H,6-7,11,14-16H2,1-5H3;2*1H

InChIKey

PUCCXNVMLYTJPJ-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(nc(c(c1C(=O)OCC)OCCCN(C)C)C)Cc2ccccc2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 137mg/kg (137mg/kg)   United States Patent Document. Vol. #4206117,