CAS Number63-75-2
Synonymsmethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; Arekolin; Arecolin; Arecholine; methyl N-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; 3-Methoxycarbonyl-1-methyl-1,2,5,6-tetrahydropyridine; Arecaline; Methylarecaiden; methyl 1,2,5,6-tetrahydro-1-methylnicotinate; Methylarecaidin; Arecoline base; Arecaidine methyl ester
Molecular FormulaC8H13NO2
Molecular Weight155.2
Density1.059g/cm3
Boiling Point209ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 63-75-2 |
| Catalog No. | 2A-1191156 |
| Chinese Name | 槟榔碱 |
| Synonyms | methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate; Arekolin; Arecolin; Arecholine; methyl N-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate; 3-Methoxycarbonyl-1-methyl-1,2,5,6-tetrahydropyridine; Arecaline; Methylarecaiden; methyl 1,2,5,6-tetrahydro-1-methylnicotinate; Methylarecaidin; Arecoline base; Arecaidine methyl ester |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.2 |
| Density | 1.059g/cm3 |
| Boiling Point | 209ºC at 760mmHg |
| Storage Condition | Room temperature, sealed, dry |
| HTC | 2933399090 |
| PubChem ID | 12315 |
| MDL Number | C8H13NO2 |
| SMILES | COC(=O)C1=CCCN(C)C1 |
| InChI | InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3 |
| InChI Key | HJJPJSXJAXAIPN-UHFFFAOYSA-N |
| Use of | Arecoline is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. Properties Name arecoline Synonym More Synonyms Chemical & Physical Properties Molecular Formula C8H13NO2 Exact Mass 155.09500 PSA 29.54000 LogP 0.35920 Index of Refraction 1.483 InChIKey HJJPJSXJAXAIPN-UHFFFAOYSA-N SMILES COC(=O)C1=CCCN(C)C1 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C8-H13-N-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 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 : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Vascular - contraction (isolated tissues) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Nutritional and Gross Metabolic - body temperature decrease TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - excitement TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : Subcutaneous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors TYPE OF TEST : Micronucleus test TYPE OF TEST : Unscheduled DNA synthesis TYPE OF TEST : Cytogenetic analysis TYPE OF TEST : Sister chromatid exchange TYPE OF TEST : Sperm Morphology MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,501,1984 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 37,141,1985 Safety Information HS Code 2933399090 Synthetic Route Arecoline hydro... (3R,4S)-methyl ... 117912-07-9 bis(4-chlorophe... 8-chloro-2-meth... 117912-10-4 Literature: Butt, Graeme L.; Deady, Leslie W.; Mackay, Maureen F. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 321 - 326 Literature: Lyle et al. Journal of Organic Chemistry, 1955 , vol. 20, p. 1761,1765 Precursor & DownStream Precursor 9 CAS#:300-08-3 Arecoline hydro... CAS#:117912-07-9 (3R,4S)-methyl ... CAS#:4685-10-3 CAS#:86343-57-9 N-Methyl-3-carb... DownStream 10 CAS#:499-04-7 Arecaidine CAS#:5809-87-0 3-Pyridinecarbo... CAS#:214335-16-7 (3S,4S)-3,4-BIS... CAS#:26070-52-0 N,N-diethyl-1-m... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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