CAS 827-61-2|Aceclidine

Introduction：Basic information about CAS 827-61-2|Aceclidine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Aceclidine BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Aceclidine
CAS Number	827-61-2	Molecular Weight	169.22100
Density	/	Boiling Point	221.5ºC at 760 mmHg
Molecular Formula	C₉H₁₅NO₂	Melting Point	/
MSDS	/	Flash Point	85ºC

Names

Name	1-azabicyclo[2.2.2]octan-3-yl acetate
Synonym	More Synonyms

Aceclidine BiologicalActivity

Description	Aceclidine is a modulator of M3 muscarinic acetylcholine receptor. Aceclidine is a cycloplegic agent, a surfactant, a tonicity adjustor and optionally a viscosity enhancer and an antioxidant. Aceclidine has the potential for the research of disorders such as refractive errors of the eye, xerostomia, Sjogren's syndrome, glaucoma, conjunctivitis, lacrimal gland disease, and esotropia (extracted from patent US20150290125A1/US20110091459A1)[1][2].
Related Catalog	Signaling Pathways >>Neuronal Signaling >>mAChRSignaling Pathways >>GPCR/G Protein >>mAChRResearch Areas >>Neurological Disease
Target	M3 muscarinic acetylcholine receptor[1]
References	[1]. Gerald Horn, et al. Storage Stable Compositions and Methods for the Treatment of Refractive Errors of the Eye. Patent US20150290125A1. [2]. Thomas G. Gant, et al. Imidazole modulators of muscarinic acetylcholine receptor m3. Patent US20110091459A1.

Chemical & Physical Properties

Boiling Point	221.5ºC at 760 mmHg
Molecular Formula	C₉H₁₅NO₂
Molecular Weight	169.22100
Flash Point	85ºC
Exact Mass	169.11000
PSA	29.54000
LogP	0.58160
InChIKey	WRJPSSPFHGNBMG-UHFFFAOYSA-N
SMILES	CC(=O)OC1CN2CCC1CC2

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VD6195000

CHEMICAL NAME :: 3-Quinuclidinol, acetate (ester)

CAS REGISTRY NUMBER :: 827-61-2

LAST UPDATED :: 199603

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H15-N-O2

MOLECULAR WEIGHT :: 169.25

WISWESSER LINE NOTATION :: T66 A B CNTJ AOV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 225 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,320,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 45 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,320,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 165 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold 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: 18,320,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 78 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 189,295,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 102 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold 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: 18,320,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - urine volume increased

REFERENCE :: RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 35,55,1972

Safety Information

Hazard Codes	Xi
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

3-Acetoxyquinuclidine

Quinuclidin-3-yl acetate

aceclidine

Glaucostat

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