CAS 568-21-8|4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (6aS)-

Introduction：Basic information about CAS 568-21-8|4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (6aS)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Synonyms

Common Name	4H-Dibenzo[de,g]quinolin-1-ol,5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (6aS)-
CAS Number	568-21-8	Molecular Weight	311.37500
Density	1.219g/cm3	Boiling Point	489.2ºC at 760mmHg
Molecular Formula	C₁₉H₂₁NO₃	Melting Point	203-204°
MSDS	/	Flash Point	249.6ºC

Names

Name	isothebaine
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.219g/cm3
Boiling Point	489.2ºC at 760mmHg
Melting Point	203-204°
Molecular Formula	C₁₉H₂₁NO₃
Molecular Weight	311.37500
Flash Point	249.6ºC
Exact Mass	311.15200
PSA	41.93000
LogP	3.09940
Index of Refraction	1.617
InChIKey	RQCOQZNIQLKGTN-ZDUSSCGKSA-N
SMILES	COc1cc2c3c(c1O)-c1c(cccc1OC)CC3N(C)CC2

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CE1017000

CHEMICAL NAME :: 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-

CAS REGISTRY NUMBER :: 568-21-8

BEILSTEIN REFERENCE NO. :: 0039931

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C19-H21-N-O3

MOLECULAR WEIGHT :: 311.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 9(4),14,1946

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 26 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AUPMAF Acta Universitatis Palackianae Olomucensis, Facultatis Medicae. (Statni Pedagogicke Nakladatelstvi, Ostrovni 30, 1 Nove Mesto, 113 01 Prague 1, Czechoslovakia) V.24- 1961- Volume(issue)/page/year: 61,213,1972

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 9(4),14,1946

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 9(4),14,1946

Synonyms

ISOTHEBAINE

2,11-dimethoxy-1-hydroxyaporphine

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