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