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Substance Name: 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride
RN: 25650-97-9
InChIKey: QAYYSHAZDXVKBZ-ZOWNYOTGSA-N

Molecular Formula

  • C19-H21-N-O3.Cl-H

Molecular Weight

  • 347.84
 
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Names and Synonyms

Synonyms

  • 2,11-Dimethoxy-6a-alpha-aporphin-1-ol hydrochloride
  • 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, HCl, (S)-
  • Isothebaine hydrochloride

Systematic Name

  • 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride

Registry Numbers

CAS Registry Number

  • 25650-97-9

System Generated Number

  • 0025650979

Molecular Formulas

Molecular Formula

  • C19-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21NO3.ClH/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18;/h4-6,10,13,21H,7-9H2,1-3H3;1H/t13-;/m0./s1

InChIKey

QAYYSHAZDXVKBZ-ZOWNYOTGSA-N

Smiles

c12c3c4c(cccc4OC)C[C@@H]1[N@@H+](CCc2cc(c3O)OC)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 26mg/kg (26mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Acta Universitatis Palackianae Olomucensis, Facultatis Medicae. Vol. 66, Pg. 169, 1973.