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Substance Name: 3-Pyridinecarbonitrile, 2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-(phenylamino)-, dihydrochloride
RN: 103638-56-8
InChIKey: SMGLYLQMWMJVDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N4-O2.2Cl-H

Molecular Weight

  • 399.3196
 
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Names and Synonyms

Synonym

  • 2-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-4-(phenylamino)-3-pyridinecarbonitrile 2HCl

Systematic Name

  • 3-Pyridinecarbonitrile, 2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-(phenylamino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 103638-56-8

System Generated Number

  • 0103638568

Molecular Formulas

Molecular Formula

  • C18-H22-N4-O2.2Cl-H

Molecular Formula Fragments

  • C18-H22-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N4O2.2ClH/c1-13(2)21-11-15(23)12-24-18-16(10-19)17(8-9-20-18)22-14-6-4-3-5-7-14;;/h3-9,13,15,21,23H,11-12H2,1-2H3,(H,20,22);2*1H

InChIKey

SMGLYLQMWMJVDZ-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1c(c(ccn1)Nc2ccccc2)C#N)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 38mg/kg (38mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 548, 1985.