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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chloro-alpha-methyl)phenethyl-6,7-dimethoxy-2-methyl-, hydrobromide
RN: 63937-71-3
InChIKey: OEAROORILQLHRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-Cl-N-O2.Br-H

Molecular Weight

  • 440.806
 
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Names and Synonyms

  • Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chloro-alpha-methyl)phenethyl-6,7-dimethoxy-2-methyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 63937-71-3

System Generated Number

  • 0063937713

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H26-Cl-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26ClNO2.BrH/c1-14(11-15-5-7-17(22)8-6-15)21-18-13-20(25-4)19(24-3)12-16(18)9-10-23(21)2;/h5-8,12-14,21H,9-11H2,1-4H3;1H

InChIKey

OEAROORILQLHRU-UHFFFAOYSA-N

Smiles

c12c(cc(OC)c(c2)OC)CC[N@@H+]([C@@H]1[C@@H](Cc1ccc(Cl)cc1)C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 292, 1965.