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37415-52-4

37415-52-4 structure
37415-52-4 structure

Name 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one,chloride
Synonyms 3(2H)-ISOQUINOLINONE,6,7-DIMETHOXY-2-METHYL-1-VERATRYL-,HYDROCHLORIDE
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3-oxo-2,3-dihydroisoquinolinium chloride
6,7-Dimethoxy-2-methyl-1-veratryl-3(2H)-isoquinolone hydrochloride
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride
3(2H)-Isoquinolinone,1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-,hydrochloride
Boiling Point 633.5ºC at 760 mmHg
Molecular Formula C21H24ClNO5
Molecular Weight 405.87200
Flash Point 336.9ºC
Exact Mass 405.13400
PSA 58.92000
LogP 3.96570

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX6037500
CHEMICAL NAME :
3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
CAS REGISTRY NUMBER :
37415-52-4
LAST UPDATED :
199309
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H23-N-O5.Cl-H
MOLECULAR WEIGHT :
405.91
WISWESSER LINE NOTATION :
T66 CNVJ B1R CO1 DO1& C1 HO1 IO1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,1131,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
304 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,1131,1972