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Substance Name: Isothebaine
RN: 568-21-8
UNII: 60CJ5Z6JA4
InChIKey: RQCOQZNIQLKGTN-ZDUSSCGKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C19-H21-N-O3

Molecular Weight

  • 311.379
 
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Names and Synonyms

Name of Substance

  • Isothebaine

Synonyms

  • 1-Hydroxy-2,11-dimethoxyaporphine
  • 2,11-Dimethoxy-1-hydroxyaporphine
  • 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (S)-
  • 5-21-05-00658 (Beilstein Handbook Reference)
  • BRN 0039931
  • Isothebaine
  • NSC 290957
  • UNII-60CJ5Z6JA4

Systematic Names

  • 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (S)- (9CI)
  • 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-
  • 6aalpha-Aporphin-1-ol, 2,11-dimethoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 568-21-8

FDA UNII

  • 60CJ5Z6JA4

System Generated Number

  • 0000568218

Structure Descriptors

InChI

1S/C19H21NO3/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/t13-/m0/s1

InChIKey

RQCOQZNIQLKGTN-ZDUSSCGKSA-N

Smiles

c12c3c4c(cccc4OC)C[C@@H]1[N@@](CCc2cc(c3O)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 100mg/kg (100mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Farmakologiya i Toksikologiya Vol. 9(4), Pg. 14, 1946.
mouse LD50 intraperitoneal 30mg/kg (30mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Farmakologiya i Toksikologiya Vol. 9(4), Pg. 14, 1946.
mouse LD50 subcutaneous 26mg/kg (26mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Universitatis Palackianae Olomucensis, Facultatis Medicae. Vol. 61, Pg. 213, 1972.
rabbit LDLo subcutaneous 20mg/kg (20mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Farmakologiya i Toksikologiya Vol. 9(4), Pg. 14, 1946.