3-Quinuclidinyl benzilate

Names

[ Name ]:
3-Quinuclidinyl benzilate

[Synonym ]:
ea2277
Ro 2-330
ro2-3308
CS 4030
3-Benziloyloxyquinuclidine
3-Chinuclidylbenzilate
(+/-)-3-quinuclidinyl benzilate
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
quinuclidinyl benzilate

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
439ºC at 760 mmHg

[ Melting Point ]:
164ºC

[ Molecular Formula ]:
C₂₁H₂₃NO₃

[ Molecular Weight ]:
337.41200

[ Flash Point ]:
219.3ºC

[ Exact Mass ]:
337.16800

[ PSA ]:
49.77000

[ LogP ]:
2.49780

[ Appearance of Characters ]:
powder | white

[ Index of Refraction ]:
1.637

[ Water Solubility ]:
chloroform: but decomposes within 24 hrssoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DD4638000

CHEMICAL NAME :: Benzilic acid, 3-quinuclidinyl ester

CAS REGISTRY NUMBER :: 6581-06-2

LAST UPDATED :: 199604

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C21-H23-N-O3

MOLECULAR WEIGHT :: 337.45

WISWESSER LINE NOTATION :: T66 A B CNTJ AOVXQR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 4500 ng/kg

TOXIC EFFECTS :: Cardiac - change in rate

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human

DOSE/DURATION :: 4800 ng/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - local anesthetic Behavioral - hallucinations, distorted perceptions Behavioral - ataxia

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

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

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

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

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

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300

[ Precautionary Statements ]:
P264-P301 + P310

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ Safety Phrases ]:
28-36/37-45

[ RIDADR ]:
UN 2811 6.1 / PGII

[ WGK Germany ]:
3

[ RTECS ]:
DD4638000

[ HS Code ]:
2933391000

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2933391000

[ Summary ]:
2933391000 quinuclidin-3-yl 2-hydroxy-2,2-diphenylacetate。supervision conditions:23(import license for dual-use item and technologies,export license for dual-use item and technologies)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

Articles

The effect of oxime reactivators on muscarinic receptors: functional and binding examinations.

Environ. Toxicol. Pharmacol. 31(3) , 364-70, (2011)

The antidotal treatment of organophosphorus poisoning is still a problematic issue since no versatile antidote has been developed yet. In our study, we focused on an interesting property, which does n...

Comparison of subcellular distribution and functions between exogenous and endogenous M1 muscarinic acetylcholine receptors.

Life Sci. 93(1) , 17-23, (2013)

Recombinant systems have been used for evaluating the properties of G-protein-coupled receptors (GPCRs) on the assumption of cell surface expression. However, many GPCRs, including muscarinic acetylch...

Assessment of novel muscarinic acetylcholine receptors in rat cerebral cortex by a tissue segment binding method.

J. Pharmacol. Sci. 112(4) , 444-51, (2010)

Muscarinic acetylcholine receptors (mAChRs) of rat cerebral cortex were evaluated using a tissue segment radioligand binding assay. [(3)H]-Quinuclidinyl benzilate (QNB, a hydrophobic ligand) specifica...