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63937-54-2

63937-54-2 structure

63937-54-2 structure

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 Name: 3-carboxy-4-hydroxybenzenesulfonate,6,7-dimethoxy-2-methyl-1-[1-(4-nitrophenyl)propan-2-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CAS Number: 63937-54-2
Molecular Formula: C₂₈H₃₂N₂O₁₀S
Molecular Weight: 588.62600
Create Date: 2016-11-19 00:47:49
Modify Date: 2023-01-19 15:41:54

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

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

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

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