3-carboxy-4-hydroxybenzenesulfonate,6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Names

[ Name ]:
3-carboxy-4-hydroxybenzenesulfonate,6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Chemical & Physical Properties

[ Boiling Point ]:
501.9ºC at 760 mmHg

[ Molecular Formula ]:
C₂₈H₃₂N₂O₁₀S

[ Molecular Weight ]:
588.62600

[ Flash Point ]:
257.3ºC

[ Exact Mass ]:
588.17800

[ PSA ]:
187.80000

[ LogP ]:
5.89880

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX5020000

CHEMICAL NAME :: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(alpha-me thyl-4-nitro)phenethy l-, hydrogen sulfosalicylate

CAS REGISTRY NUMBER :: 63937-54-2

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H26-N2-O4.C7-H6-O6

MOLECULAR WEIGHT :: 556.62

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 70 mg/kg

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

REFERENCE :: MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 5,292,1965

Related Compounds

N-(4-amino-2-((2-((2-methoxyphenyl)amino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)thiophene-2-carboxamide
Butanoic acid, 2-(((Z)-(5-(4-((dimethylamino)sulfonyl)phenyl)-1,2,6,7,8,9-hexahydro-8-methyl-2-oxo-3H-pyrrolo(3,2-H)isoquinolin-3-ylidene)amino)oxy)-4-hydroxy-, (2S)-
2-[(4-Methylbenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4-ol
2-{1-[(4-chlorobenzyl)amino]ethyl}-4(3H)-quinazolinone
2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-4(3H)-quinazolinone
(E)-5-(4-hydroxy-3-methoxybenzylidene)-2-(m-tolylamino)thiazol-4(5H)-one
(2E,5E)-2-((3,4-dimethylphenyl)imino)-5-(3,4,5-trimethoxybenzylidene)thiazolidin-4-one
(2Z,5Z)-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazolidin-4-one
(2E,5Z)-5-(4-fluorobenzylidene)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazolidin-4-one
(E)-2-((3,4-dimethylphenyl)amino)-5-(4-hydroxybenzylidene)thiazol-4(5H)-one

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