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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-2-allyl-1-(4-chlorophenethyl)-6,7-dimethoxy-, hydrochloride
RN: 63938-06-7
InChIKey: YMSBFNUBFGRJNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-Cl-N-O2.Cl-H

Molecular Weight

  • 408.366
 
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Names and Synonyms

Synonym

  • 1-(4-Chlorophenethyl)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-2-allyl-1-(4-chlorophenethyl)-6,7-dimethoxy-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63938-06-7

System Generated Number

  • 0063938067

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C22-H26-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26ClNO2.ClH/c1-4-12-24-13-11-17-14-21(25-2)22(26-3)15-19(17)20(24)10-7-16-5-8-18(23)9-6-16;/h4-6,8-9,14-15,20H,1,7,10-13H2,2-3H3;1H

InChIKey

YMSBFNUBFGRJNW-UHFFFAOYSA-N

Smiles

c12[C@@H]([N@@H+](CCc1cc(OC)c(c2)OC)CC=C)CCc1ccc(Cl)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 293, 1965.