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MSDS  : Benzoic acid, 3,4,5-trimethoxy-, diester with tetrahydro-1H-1,4-diazepine-1,4(5H)dipropanol, dihydrochloride
CAS  : 20153-98-4
SYNONYMS  : * ASTA C * ASTA C 4898 * N,N'-(Bis-omega-hydroxypropyl)homopiperazine 3,4,5-trimethoxybenzoate dihydrochloride * N,N'-Bis(3-(3,4,5-trimethoxybenzoyloxy)propyl)homopiperazine dihydrochloride * 1,4-Bis(3-(3,4,5-trimethoxybenzoyloxy)-propyl)perhydro-1,4-diazepine dihydrochloride * Comelian * Cormelian * Dilazep dihydrochloride * K-285 * Labitan * Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol bis(3,4,5-trimethoxybenzoate) dihydrochloride
*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER : DI0250000
CHEMICAL NAME : Benzoic acid, 3,4,5-trimethoxy-, diester with
tetrahydro-1H-1,4-diazepine-1,4(5H)dipropanol,
dihydrochloride
CAS REGISTRY NUMBER : 20153-98-4
LAST UPDATED : 199506
DATA ITEMS CITED : 20
MOLECULAR FORMULA : C31-H44-N2-O10.2Cl-H
MOLECULAR WEIGHT : 677.69
WISWESSER LINE NOTATION : T7N DNTJ A3OVR CO1 DO1 EO1& D3OVR CO1 DO1 EO1 &GH 2
COMPOUND DESCRIPTOR : Drug
Reproductive Effector
SYNONYMS/TRADE NAMES :
* ASTA C
* ASTA C 4898
* N,N'-(Bis-omega-hydroxypropyl)homopiperazine 3,4,5-trimethoxybenzoate
dihydrochloride
* N,N'-Bis(3-(3,4,5-trimethoxybenzoyloxy)propyl)homopiperazine
dihydrochloride
* 1,4-Bis(3-(3,4,5-trimethoxybenzoyloxy)-propyl)perhydro-1,4-diazepine
dihydrochloride
* Comelian
* Cormelian
* Dilazep dihydrochloride
* K-285
* Labitan
* Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
bis(3,4,5-trimethoxybenzoate) dihydrochloride

*** 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 : >2150 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory
change
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,667,1972

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 85200 ug/kg
TOXIC EFFECTS :
Behavioral - tremor
Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,667,1972

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 369 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2044,1974

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 13700 ug/kg
TOXIC EFFECTS :
Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2044,1974

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 2860 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2044,1974

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 161 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,667,1972

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 154 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,667,1972

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 16800 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2044,1974

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : >316 mg/kg
TOXIC EFFECTS :
Cardiac - pulse rate increase, without fall in BP
Gastrointestinal - nausea or vomiting
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,667,1972

TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : 11200 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
Behavioral - ataxia
Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 22,667,1972

** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 156 gm/kg/26W-I
TOXIC EFFECTS :
Liver - other changes
Kidney, Ureter, Bladder - other changes
Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2062,1974

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 30 gm/kg/30D-C
TOXIC EFFECTS :
Liver - changes in liver weight
Endocrine - changes in adrenal weight
Related to Chronic Data - changes in ovarian weight
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2050,1974

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 336 mg/kg/28D-I
TOXIC EFFECTS :
Liver - changes in liver weight
Blood - normocytic anemia
Related to Chronic Data - death
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 18(Suppl 12),S3091,199

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE/DURATION : 1456 mg/kg/26W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight
Endocrine - changes in adrenal weight
Blood - normocytic anemia
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 18(Suppl 12),S3155,199

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : 84 mg/kg/7D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume increased
Kidney, Ureter, Bladder - other changes in urine composition
Nutritional and Gross Metabolic - changes in sodium
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 18(Suppl 12),S3141,199

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Mammal - dog
DOSE/DURATION : 728 mg/kg/26W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition
Blood - changes in platelet count
Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 18(Suppl 12),S3193,199

** REPRODUCTIVE DATA **

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - rat
DOSE : 1750 mg/kg
SEX/DURATION : female 7-13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,4368,1974

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - rat
DOSE : 672 mg/kg
SEX/DURATION : male 9 week(s) pre-mating
female 2 week(s) pre-mating - 7 day(s) after
conception
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
sperm morphology, motility, and count)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu
Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972-
Volume(issue)/page/year: 18(Suppl 12),S3227,199

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE : 6 gm/kg
SEX/DURATION : female 7-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2084,1974

TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Rodent - mouse
DOSE : 3 gm/kg
SEX/DURATION : female 7-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 8,2084,1974

*** END OF RECORD ***
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ALL Chemical Property And Toxicity Analysis PAGES IN THIS GROUP
NAMECAS
Benzoic acid, p-(3,4,5-trimethoxybenzamido)-,2-(4-hydroxy-3-methoxybenzylidene)hydrazide 100278-48-6
Benzoic acid, p-(3,4,5-trimethoxybenzamido)-,2-(p-methoxybenzylidene)hydrazide 100278-29-3
Benzoic acid, 3-(2'-pentylpiperidino)propyl ester 64050-38-0
Benzoic acid, p-(3,4,5-trimethoxybenzamido)-,2-(p-methylbenzylidene)hydrazide 100278-38-4
Benzoic acid, p-(3,4,5-trimethoxybenzamido)-,2-(o-nitrobenzylidene)hydrazide 100278-39-5
Benzoic acid, p-(3,4,5-trimethoxybenzamido)-,2-salicylidenehydrazide 100278-47-5
Benzoic acid, p-(3,4,5-trimethoxybenzamido)-,2-veratrylidenehydrazide 100278-49-7
Benzoic acid, 3,4,5-trimethoxy-,2-((5-bromopentyl)ethylamino)ethyl ester, oxalate 54112-86-6
Benzoic acid, 3,4,5-trimethoxy-, 1,4-butanediyl ester 97209-94-4
Benzoic acid, 3,4,5-trimethoxy-,2-(4-(3-(2-chlorodibenzo(b,e)thiepin-11(6H)-ylidene)propyl)-1-piperazinyl)ethyl ester, (E)-,(Z)-2-butenedioate (1:2) 93909-29-6
Benzoic acid, 3,4,5-trimethoxy-,2-((4-chlorobutyl)ethylamino)ethyl ester,hydrochloride 54112-78-6
Benzoic acid, 3,4,5-trimethoxy-,2-(4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1- piperazinyl)ethyl ester, (Z)-2-butenedioate(1:2) 34775-68-3
Benzoic acid, 3,4,5-trimethoxy-,2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide 84044-29-1
Benzoic acid, 3-(2-pentylpiperidino)propyl ester,hydrochloride 67031-97-4
Benzoic acid, 3,4,5-trimethoxy-,2-((2-chloroethyl)ethylamino)ethyl ester,hydrochloride 54112-79-7
Benzoic acid, 3,4,5-trimethoxy-,2-((6-chlorohexyl)ethylamino)ethyl ester, oxalate 54112-88-8
Benzoic acid, 3,4,5-trimethoxy-,7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin- 3-yl ester 18035-93-3
Benzoic acid, 3,4,5-trimethoxy-,2-((4-chloropentyl)ethylamino)ethyl ester,hydrochloride 54112-82-2
Benzoic acid, 3,4,5-trimethoxy-,2-((5-chloropentyl)ethylamino)ethyl ester, oxalate 54112-84-4
Benzoic acid, 3,4,5-trimethoxy-,2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl) ethyl ester 388-51-2
Benzoic acid, 3,4,5-trimethoxy-,2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester, diethanesulfonate 1674-48-2
Benzoic acid, 3,4,5-trimethoxy-,2-(4-(3-(2-chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester, difumarate 522-23-6
Benzoic acid, 3,4,5-trimethoxy-,((2-chlorophenyl)methylene)hydrazide, (E)- 133661-68-4
Benzoic acid, 3,4,5-trimethoxy-,2-((3-chloropropyl)ethylamino)ethyl ester, oxalate 54112-81-1
Benzoic acid, 3-(4-pentylpiperidino)propyl ester,hydrochloride 67031-98-5
Benzoic acid, 3,4,5-trimethoxy-,1-((cyclohexylmethylamino)methyl)-2-(5,6,7-trimethoxy-1- oxo-2-(1H)-phthalazinyl)ethyl ester,monohydrochloride 38952-83-9
Benzoic acid, 3,4,5-trimethoxy-,decahydro-2-ethyl-5-isoquinolyl ester, cis- 38952-83-9
Benzoic acid, 3,4,5-trimethoxy-,decahydro-2-methyl-8-isoquinolinyl ester,hydrochloride, (E)- 38952-83-9
Benzoic acid, 3,4,5-trimethoxy-,decahydro-2-methyl-8-isoquinolinyl ester,hydrochloride, (Z)- 38952-83-9
Benzoic acid, 3,4,5-trimethoxy-,decahydro-2-methyl-5-isoquinolyl ester, cis- 18429-98-6
Benzoic acid, 3,4,5-trimethoxy-,decahydro-2-methyl-5-isoquinolyl ester, trans- 18429-83-9
Benzoic acid, 3,4,5-trimethoxy-,2-(4-(3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)-1-piperazinyl)ethyl ester, (E)-, (Z)-2-butenedioate(1:2) 93665-40-8
Benzoic acid, 3,4,5-trimethoxy-, diester with3,3'-(ethylenebis(methylimino))di-1-propanol 54-03-5
Benzoic acid, 3,4,5-trimethoxy-, diester with3,3'-(ethylenebis(methylimino))di-1-propanol,dihydrochloride 50-62-4
Benzoic acid, 3,4,5-trimethoxy-, diester withtetrahydro-1H-1,4-diazepine-1,4(5H)dipropanol,dihydrochloride 20153-98-4
Benzoic acid, 4-phenethoxy-, 3-(dimethylamino)propylester 78330-03-7
Benzoic acid, 3,4,5-trimethoxy-, diester withtetrahydro-1H-1,4-diazepine-1,4(5H)- dipropanol,dihydrochloride, mixed with 4'''-acetatedigoxin(250:1) 54914-39-5
Benzoic acid, 3,4,5-trimethoxy-,4-(diethylamino)butyl ester 32065-99-9
Benzoic acid, 3,4,5-trimethoxy-,2-(diethylamino)-1-((1,4-dihydro-6,7-dimethoxy-4-oxo-2- thioxo-3(2H)-quinazolinyl)methyl)ethyl ester,hydrochloride 36996-41-5
Benzoic acid, 3,4,5-trimethoxy-,2-(diethylamino)ethyl ester, hydrochloride 4304-21-6
Benzoic acid, 3,4,5-trimethoxy-,alpha-((diethylamino)methyl)benzyl ester,hydrochloride 102701-04-2
Benzoic acid, 3,4,5-trimethoxy-,2-(diethylamino)-1-methylethyl ester, hydrochloride 102701-04-2
Benzoic acid, 3,4,5-trimethoxy-,1-((diethylamino)methyl)-2-(2-thienyl)ethyl ester,hydrochloride 74007-86-6
Benzoic acid, 3,4,5-trimethoxy-,1-((diethylamino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)- phthalazinyl)ethyl ester, monohydrochloride 38952-79-3
Benzoic acid, 3,4,5-trimethoxy-,3-(diethylamino)propyl ester, hydrochloride 38243-81-1
Benzoic acid, 3,4,5-trimethoxy-,2-(1,4-dihydro-6,7-dimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)-1-(4-morpholinylmethyl)ethyl ester,hydrochloride 36996-42-6
Benzoic acid, 2-(phenethylamino)- 23049-93-6
Benzoic acid, 3,4,5-trimethoxy-,3,4-dihydro-2H-1,4-ethanoquinolin-3-yl ester,hydrochloride 24562-87-6
Benzoic acid, 3,4,5-trimethoxy-,3-((2-(2,3-dihydro-6-methoxy-1H-inden-1-yl)ethyl)methyl amino)propyl ester 69061-80-9
Benzoic acid, 3,4,5-trimethoxy-,2-(1,4-dihydro-6,7,8-trimethoxy-4-oxo-2-thioxo-3(2H)-quinazolinyl)-1-((4-((3,4-dimethoxyphenyl)methyl)-1-piperazinyl)methyl)eth yl ester, hydrochloride 36996-49-3

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