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

Modify Date: 2024-04-12 18:42:18

Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-[4- (3,4, 5-trimethoxybenzoyl)-1-piperazinyl]ethyl ester, monohydrochloride Structure
Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-[4- (3,4, 5-trimethoxybenzoyl)-1-piperazinyl]ethyl ester, monohydrochloride structure
Common Name Benzoic acid, 3,4,5-trimethoxy-, 1-methyl-2-[4- (3,4, 5-trimethoxybenzoyl)-1-piperazinyl]ethyl ester, monohydrochloride
CAS Number 991-30-0 Molecular Weight 569.04400
Density 1.193g/cm3 Boiling Point 645.2ºC at 760 mmHg
Molecular Formula C27H37ClN2O9 Melting Point N/A
MSDS N/A Flash Point 344ºC

 Names

Name Benzoic acid, 3,4,5-trimethoxy-, [1-[4-(3,4,5-trimethoxybenzoyl)piperazinylmethyl]ethyl] ester, hydrochloride

 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