Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-[4- (3,4, 5-trimethoxybenzoyl)-1-piperazinyl]ethyl ester, monohydrochloride

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Names

[ CAS No. ]:
991-30-0

[ Name ]:
Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-[4- (3,4, 5-trimethoxybenzoyl)-1-piperazinyl]ethyl ester, monohydrochloride

Chemical & Physical Properties

[ Density]:
1.193g/cm3

[ Boiling Point ]:
645.2ºC at 760 mmHg

[ Molecular Formula ]:
C₂₇H₃₇ClN₂O₉

[ Molecular Weight ]:
569.04400

[ Flash Point ]:
344ºC

[ Exact Mass ]:
568.21900

[ PSA ]:
105.23000

[ LogP ]:
3.41930

[ Index of Refraction ]:
1.542

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI0879500

CHEMICAL NAME :: Benzoic acid, 3,4,5-trimethoxy-, 1-(4-(3,4,5-trimethoxybenzoyl)piperazzinylmethyl)ethy l ester,hydrochloride

CAS REGISTRY NUMBER :: 991-30-0

LAST UPDATED :: 199012

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C27-H36-N2-O9.Cl-H

MOLECULAR WEIGHT :: 569.11

WISWESSER LINE NOTATION :: T6N DNTJ AVR CO1 DO1 EO1& D1Y1&OVR CO1 DO1 EO1 &GH

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,307,1972

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 160 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,307,1972

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,307,1972

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 680 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,307,1972

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 240 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,307,1972

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,307,1972

Related Compounds

4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
2-(6-fluoro-3-methyl-2,2-dioxidobenzo[c][1,2,5]thiadiazol-1(3H)-yl)-N-(o-tolyl)acetamide
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
tert-Butyl-DL-alanine
4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide