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Substance Name: 3-Pyridinecarbonitrile, 2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-((4-methoxyphenyl)amino)-, dihydrochloride, hydrate
RN: 103607-56-3
InChIKey: KTYFZNQOXKIISY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N4-O3.2Cl-H.H2-O

Molecular Weight

  • 447.3602
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 103607-56-3

System Generated Number

  • 0103607563

Molecular Formulas

Molecular Formula

  • C19-H24-N4-O3.2Cl-H.H2-O

Molecular Formula Fragments

  • C19-H24-N4-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H24N4O3.2ClH.H2O/c1-13(2)22-11-15(24)12-26-19-17(10-20)18(8-9-21-19)23-14-4-6-16(25-3)7-5-14;;;/h4-9,13,15,22,24H,11-12H2,1-3H3,(H,21,23);2*1H;1H2

InChIKey

KTYFZNQOXKIISY-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1c(c(ccn1)Nc2ccc(cc2)OC)C#N)O.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 85mg/kg (85mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 548, 1985.