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Substance Name: 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(4-nitrophenyl)-, hydrochloride, hydrate (1:2:1)
RN: 83658-48-4
InChIKey: SKPOCPGWCCOEHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O2.2Cl-H.H2-O

Molecular Weight

  • 396.3157
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 83658-48-4

System Generated Number

  • 0083658484

Molecular Formulas

Molecular Formula

  • C19-H21-N3-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C19-H21-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H21N3O2.2ClH/c1-21(2)12-11-16-13-15-5-3-4-6-18(15)19(20-16)14-7-9-17(10-8-14)22(23)24;;/h3-10,16H,11-13H2,1-2H3;2*1H

InChIKey

SKPOCPGWCCOEHG-UHFFFAOYSA-N

Smiles

CN(C)CCC1Cc2ccccc2C(=N1)c3ccc(cc3)[N+](=O)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   United States Patent Document. Vol. #4386090,