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Substance Name: 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-fluorophenyl)-, hydrochloride, hydrate (1:2:1)
RN: 83658-29-1
InChIKey: WWZBEUAGUTXSAX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-F-N2.2Cl-H.H2-O

Molecular Weight

  • 369.3087
 
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Names and Synonyms

  • 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-fluorophenyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 83658-29-1

System Generated Number

  • 0083658291

Molecular Formulas

Molecular Formula

  • C19-H21-F-N2.2Cl-H.H2-O

Molecular Formula Fragments

  • C19-H21-F-N2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H21FN2.2ClH/c1-22(2)12-11-15-13-14-7-3-4-8-16(14)19(21-15)17-9-5-6-10-18(17)20;;/h3-10,15H,11-13H2,1-2H3;2*1H

InChIKey

WWZBEUAGUTXSAX-UHFFFAOYSA-N

Smiles

CN(C)CCC1Cc2ccccc2C(=N1)c3ccccc3F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   United States Patent Document. Vol. #4386090,