CAS 20153-98-4 MFCD00133267-Benzoic acid, 3,4,5-trimethoxy-, 1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester, hydrochloride (1:2) 1,4-双[3-(3,4,5-三甲氧基苯甲酰氧基)丙基]高哌嗪二盐酸盐 TAO{mole}

Benzoic acid, 3,4,5-trimethoxy-, 1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester, hydrochloride (1:2) 1,4-双[3-(3,4,5-三甲氧基苯甲酰氧基)丙基]高哌嗪二盐酸盐

CAS 20153-98-4 MFCD00133267

化学结构图

SMILES: Cl.Cl.COC1C=C(C=C(OC)C=1OC)C(=O)OCCCN1CCN(CCC1)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC

化学属性

Mol. Formula	C31H44N2O10· 2HCl
Mol. Weight	677.61

别名和识别编码

Chemical Name	Benzoic acid, 3,4,5-trimethoxy-, 1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester, hydrochloride (1:2)
Synonym	ASTA C ASTA C 4898 ASTA C 4898 Cormelian N,N'-bis(3-[3,4,5-Trimethoxybenzoyloxy]propyl)homopiperazine dihydrochloride Cormelian Dilazep dihydrochloride N,N'-(Bis-omega-hydroxypropyl)homopiperazine 3,4,5-trimethoxybenzoate N,N'-bis(3-[3,4,5-Trimethoxybenzoyloxy]propyl)homopiperazine dihydrochloride
PubChem Substance ID	24278372
EC Number	243-548-8
MDL Number	MFCD00133267
Wiswesser Line Notation	T7N DNTJ A3OVR CO1 DO1 EO1& D3OVR CO1 DO1 EO1 &GH 2
CAS Number	20153-98-4
Chemical Name Translation	1,4-双[3-(3,4,5-三甲氧基苯甲酰氧基)丙基]高哌嗪二盐酸盐

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安全信息

GHS Symbol

WGK Germany2

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSDI0250000

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

Signal word Warning

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Hazard Codes Xi

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

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       : 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

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-Forsc

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 - 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