4H-Dibenzo[de,g]quinoline,9-[4,5-dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-,(6aS)-

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Names

[ Name ]:
4H-Dibenzo[de,g]quinoline,9-[4,5-dimethoxy-2-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-,(6aS)-

[Synonym ]:
NY IV-34-1
THALICARPINE
(6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Thalicarpin
Thaliblastine
Taliblastine
Taliblastin

Chemical & Physical Properties

[ Density]:
1.194g/cm3

[ Boiling Point ]:
762.2ºC at 760mmHg

[ Molecular Formula ]:
C₄₁H₄₈N₂O₈

[ Molecular Weight ]:
696.82800

[ Flash Point ]:
181.4ºC

[ Exact Mass ]:
696.34100

[ PSA ]:
80.32000

[ LogP ]:
6.93870

[ Index of Refraction ]:
1.589

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HQ1775000

CHEMICAL NAME :: 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-9-(4,5-dimethoxy-2-((1,2,3,4-tetr ahydro-6,7- dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-1, 2,10-trimethoxy-6-met hyl-

CAS REGISTRY NUMBER :: 5373-42-2

LAST UPDATED :: 199801

DATA ITEMS CITED :: 22

MOLECULAR FORMULA :: C41-H48-N2-O8

MOLECULAR WEIGHT :: 696.91

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 140 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 78300 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1542 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 247 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 43700 ug/kg

TOXIC EFFECTS :: Behavioral - excitement Behavioral - muscle weakness Behavioral - ataxia

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 62600 ug/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Cardiac - other changes Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 42 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Cardiac - other changes

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 10 mg/kg

TOXIC EFFECTS :: Cardiac - pulse rate Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 835 mg/kg/5D-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 510 mg/kg/5D-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 135 mg/kg/5D-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 104 mg/kg/19D-I

TOXIC EFFECTS :: Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Gastrointestinal - changes in structure or function of salivary glands

TYPE OF TEST :: Mutation test systems - not otherwise specified

TYPE OF TEST :: Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :: DNA adduct

TEST SYSTEM :: Mammal - species unspecified Lymphocyte

DOSE/DURATION :: 125 ug/L

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 63,474,1974

Related Compounds

1-(2,2,2-trifluoroacetyl)azocane-4-carboxylic acid
(2S)-2-isopropyl-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoic acid
2-cyclopentyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
benzyl 4-prop-2-ynoxypiperidine-1-carboxylate
tert-butyl 3-(benzyloxycarbonylaminomethyl)-3-hydroxy-pyrrolidine-1-carboxylate
tert-butyl N-prop-2-ynyl-N-tetrahydropyran-4-yl-carbamate
(3S)-4-methyl-3-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
benzyl N-cyclopropyl-N-prop-2-ynyl-carbamate
benzyl N-(1-prop-2-ynylcyclobutyl)carbamate
benzyl N-cyclobutyl-N-prop-2-ynyl-carbamate

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