3-Quinuclidinyl benzilate

CAS 6581-06-2 MFCD00055094

化学结构图

6581-06-2
SMILES: O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1

化学属性

Mol. FormulaC21H23NO3
Mol. Weight337.45

别名和识别编码

Chemical NameBenzilic acid, 3-quinuclidinyl ester
Synonym (±)-Quinuclidinyl benzilate 1-Azabicyclo(2.2.2)octan-3-ol, benzilate 1-Azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2,2-di(phenyl)acetate 3-Chinuclidylbenzilate 3-Quinuclidinol benzilate 3-Quinuclidinyl benzilate 3-Quinuclidyl benzilate Benzilate, Quinuclidinyl CS 4030 EA 2277 QNB Quinuclidinyl Benzilate Ro 2-3308
MDL NumberMFCD00055094
CAS Number6581-06-2
Wiswesser Line NotationT66 A B CNTJ AOVXQR&R
PubChem Substance ID23056
InChIInChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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分类

  • {SNA} Antagonists, Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cholinergics, Neuroscience, Neurotransmission, Neurotransmitters, Q

安全信息

GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P301+P310
  • P301+P316
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H300 Fatal if swallowed 吞食致命
WGK Germany3
Signal word Danger
RTECSDD4638000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Hazard Codes T+
Risk Statements
  • R26 Very toxic by inhalation 吸入极毒
Restrict 监控化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#11998

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 103 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHFZAN Khimiko-Farmatsevticheskii Zhurnal.  Chemical Pharmaceutical Journal.
    For English translation, see PCJOAU.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.1-    1967-  Volume(issue)/page/year: 1(3),3,1967

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Human
DOSE/DURATION           : 5 ug/kg
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
   Behavioral - ataxia
   Gastrointestinal - nausea or vomiting
REFERENCE :
   85IVAW "Possible Long-Term Health Effects of Short-Term Exposure to Chemical
   Agents," National Research Council, 3 vols., Washington, DC, National
   Academy Press, 1982-85  Volume(issue)/page/year: 1,63,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 103 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHFZAN Khimiko-Farmatsevti

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - hamster
DOSE/DURATION           : 40 mg/kg/6H (Intermittent)
REFERENCE :
   ACNSAX Activitas Nervosa Superior.  (Avicenum, Malostranske nam. 28, Prague
   1, Czechoslovakia) V.1-    1959-  Volume(issue)/page/year: 17,253,1975

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
REFERENCE :
   ACNSAX Activitas Nervosa Superior.  (Avicenum, Malostranske nam. 28, Prague
   1, Czechoslovakia) V.1-    1959-  Volume(issue)/page/year: 17,252,1975

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   ACNSAX Activitas Nervosa Superior.  (Avicenum, Malostranske nam. 28, Prague
   1, Czechoslovakia) V.1-    1959-  Volume(issue)/page/year: 17,252,1975

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 30 mg/kg
REFERENCE :
   ACNSAX Activitas Nervosa Superior.  (Avicenum, Malostranske nam. 28, Prague
   1, Czechoslovakia) V.1-    1959-  Volume(issue)/page/year: 17,252,1975

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