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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-6,7,8-trimethoxy-, hydrobromide
RN: 63937-86-0
InChIKey: CNWUDWCPTYHKSL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-Cl-N-O3.Br-H

Molecular Weight

  • 456.805
 
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Names and Synonyms

Synonym

  • 1-(4-Chlorophenethyl)-2-methyl-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-6,7,8-trimethoxy-, hydrobromide

Registry Numbers

CAS Registry Number

  • 63937-86-0

System Generated Number

  • 0063937860

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H26-Cl-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26ClNO3.BrH/c1-23-12-11-15-13-18(24-2)20(25-3)21(26-4)19(15)17(23)10-7-14-5-8-16(22)9-6-14;/h5-6,8-9,13,17H,7,10-12H2,1-4H3;1H

InChIKey

CNWUDWCPTYHKSL-UHFFFAOYSA-N

Smiles

c12c(c(c(OC)cc1CC[N@@H+]([C@@H]2CCc1ccc(Cl)cc1)C)OC)OC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 291, 1965.