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Substance Name: 3-Pyridinecarbonitrile, 2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-((phenylmethyl)amino)-, dihydrochloride
RN: 103607-53-0
InChIKey: IUWLIZQTYOGNFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N4-O2.2Cl-H

Molecular Weight

  • 413.3464
 
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Names and Synonyms

Synonym

  • RTECS UX3094000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103607-53-0

System Generated Number

  • 0103607530

Molecular Formulas

Molecular Formula

  • C19-H24-N4-O2.2Cl-H

Molecular Formula Fragments

  • C19-H24-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H24N4O2.2ClH/c1-14(2)22-12-16(24)13-25-19-17(10-20)18(8-9-21-19)23-11-15-6-4-3-5-7-15;;/h3-9,14,16,22,24H,11-13H2,1-2H3,(H,21,23);2*1H

InChIKey

IUWLIZQTYOGNFN-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1c(c(ccn1)NCc2ccccc2)C#N)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 548, 1985.