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Substance Name: 3-Pyridinecarbonitrile, 2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-((2-phenylethyl)amino)-, dihydrochloride, hydrate
RN: 103607-57-4
InChIKey: RJUODRASIOZDAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N4-O2.2Cl-H.H2-O

Molecular Weight

  • 445.388
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 103607-57-4

System Generated Number

  • 0103607574

Molecular Formulas

Molecular Formula

  • C20-H26-N4-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C20-H26-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H26N4O2.2ClH.H2O/c1-15(2)24-13-17(25)14-26-20-18(12-21)19(9-11-23-20)22-10-8-16-6-4-3-5-7-16;;;/h3-7,9,11,15,17,24-25H,8,10,13-14H2,1-2H3,(H,22,23);2*1H;1H2

InChIKey

RJUODRASIOZDAW-UHFFFAOYSA-N

Smiles

CC(C)NCC(COc1c(c(ccn1)NCCc2ccccc2)C#N)O.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 39mg/kg (39mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 548, 1985.