CAS Number50-48-6
SynonymsElavil; EINECS 200-041-6; 10,11-Dihydro-5-(g-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; Triptilin; Triptanol; Amitryptiline; Tryptizol; Euplit; Lentizol; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine; Amitriprolidine; Sylvemid; Proheptadiene; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-D5,g-propylamine; Damilen; Laroxyl; Domical; 3-(5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine; 10,11-dihydro-5-(γ-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulén-5-ylidène)-N,N-diméthylpropan-1-amine; 5-(3-Dimethylaminopropylidene)dibenzo[a,d][1,4]cycloheptadiene; 3-(10,11-Dihydro-5H-
Molecular FormulaC20H23N
Molecular Weight277.41
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point398.2±21.0 °C at 760 mmHg
Melting Point196-197°C
EINECS200-041-6
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 50-48-6 |
| Catalog No. | 2A-9016558 |
| Chinese Name | 阿米替林 |
| Synonyms | Elavil; EINECS 200-041-6; 10,11-Dihydro-5-(g-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; Triptilin; Triptanol; Amitryptiline; Tryptizol; Euplit; Lentizol; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine; Amitriprolidine; Sylvemid; Proheptadiene; 10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-D5,g-propylamine; Damilen; Laroxyl; Domical; 3-(5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine; 10,11-dihydro-5-(γ-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene; 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulén-5-ylidène)-N,N-diméthylpropan-1-amine; 5-(3-Dimethylaminopropylidene)dibenzo[a,d][1,4]cycloheptadiene; 3-(10,11-Dihydro-5H- |
| Molecular Formula | C20H23N |
| Molecular Weight | 277.41 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 398.2±21.0 °C at 760 mmHg |
| Melting Point | 196-197°C |
| Water Solubility | 9.7 mg/mL |
| Storage Condition | 2-8°C, dry |
| Application | Amitriptyline is a common oral anticholinergic drug. Amitriptyline has anticholinergic properties. Amitriptyline can be used in studies to quantify anticholinergic adverse effects in patients taking a |
| EINECS | 200-041-6 |
| HTC | 2921499090 |
| MDL Number | C20H23N |
| SMILES | CN(C)CCC=C1c2ccccc2CCc2ccccc21 |
| InChI | InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 |
| InChI Key | KRMDCWKBEZIMAB-UHFFFAOYSA-N |
| MSDS | msds/16558_1_50_48_6.pdf |
| Use of | Amitriptyline is a common oral anticholinergic. Amitriptylinehas anticholinergic properties. Amitriptyline can be used to quantifyanticholinergic adverse reactions in patients taking amitriptyline and placebo[1]. Properties Name amitriptyline Synonym More Synonyms Amitriptyline Biological Activity Description Amitriptyline is a common oral anticholinergic. Amitriptylinehas anticholinergic properties. Amitriptyline can be used to quantifyanticholinergic adverse reactions in patients taking amitriptyline and placebo[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References [1]. BrueckleMS, et al. Amitriptyline's anticholinergic adverse drug reactions-A systematicmultiple-indication review and meta-analysis. PLoS One. 2023 Apr5;18(4):e0284168. Chemical & Physical Properties Molecular Formula C20H23N Exact Mass 277.183044 PSA 3.24000 Index of Refraction 1.628 InChIKey KRMDCWKBEZIMAB-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : WISWESSER LINE NOTATION : L C676 BY&T&J BU3N1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Cardiac - EKG changes not diagnostic of specified effects REFERENCE : JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan) V.1- 1988- Volume(issue)/page/year: 5,69,1992 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Cardiac - arrhythmias (including changes in conduction) Cardiac - change in rate Vascular - BP lowering not characterized in autonomic section REFERENCE : JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 19,67,1982 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - child DOSE/DURATION : 4500 ug/kg TOXIC EFFECTS : Behavioral - sleep REFERENCE : BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 3,663,1967 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 16800 ug/kg/2W-I TOXIC EFFECTS : Peripheral Nerve and Sensation - paresthesis Behavioral - headache REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,426,1968 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : DOSE/DURATION : TOXIC EFFECTS : Cardiac - other changes REFERENCE : PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 6,171,1965 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - infant DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Cardiac - change in rate Behavioral - muscle contraction or spasticity REFERENCE : AJDCAI American Journal of Diseases of Children. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1-80(3), 1911-50; V.100- 1960- Volume(issue)/page/year: 130,507,1976 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : HETOEA Human & Experimental Toxicology. (Macmillan Press Ltd., Brunel Road, Houndmills, Basingstoke, Hampshire, RG21 2XS, UK) V.9- 1990- Volume(issue)/page/year: 9,257,1990 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : 13500 ug/kg/3D-C TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,390,1968 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Human - woman DOSE/DURATION : 240 ug/kg/36H-C TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,390,1968 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Cardiac - change in rate REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 2,1202,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,863,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 27,503,1975 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 REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,459,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 48400 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 53(4),19,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4605673 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,65,1974 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,418,1967 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes REFERENCE : PHMCAA Pharmacologist. (American Soc. for Pharmacology and Experimental Therapeutics, 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1959- Volume(issue)/page/year: 11,283,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 58700 ug/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - cyanosis REFERENCE : JTCTDW Journal of Toxicology, Clinical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.19- 1982- Volume(issue)/page/year: 19,321,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 8600 ug/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: 15,863,1965 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 30,1709,1980 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 62500 ug/kg/30D-I TOXIC EFFECTS : Liver - other changes Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes REFERENCE : TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 75,63,1992 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 4-18 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : JNMDBO Journal of Medicine (Westbury, NY). (PJD Pub., Ltd., POB 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 2,271,1971 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-14 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities REFERENCE : PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 10,235,1969 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 6-14 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) REFERENCE : PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 10,235,1969 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 8-16 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - other developmental abnormalities Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 10,235,1969 *** REVIEWS *** TOXICOLOGY REVIEW DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 8,690,1974 TOXICOLOGY REVIEW CLCHAU Clinical Chemistry (Winston-Salem, NC). (American Assoc. for Clinical Chemistry, 1725 K St., NW, Washington, DC 20006) V.1- 1955- Volume(issue)/page/year: 19,361,1973 TOXICOLOGY REVIEW CTOXAO Clinical Toxicology. (New York, NY) V.1-18, 1968-81. For publisher information, see JTCTDW. Volume(issue)/page/year: 2,403,1969 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3816 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 8 No. of Employees: 3157 (estimated) No. of Female Employees: 1154 (estimated) Safety Information Hazard Codes Xi Safety Phrases S26-S36 WGK Germany 3 HS Code 2921499090 Synthetic Route Amitriptylinoxide CAS#:4317-14-0 Amitriptyline CAS#:50-48-6 Literature: Gowda, Narendra B.; Rao, Gopal Krishna; Ramakrishna, Ramesha A. Tetrahedron Letters, 2010 , vol. 51, # 43 p. 5690 - 5693 5-(3-dimethylam... CAS#:1159-03-1 Amitriptyline CAS#:50-48-6 Literature: Kupracz, Lukas; Kirschning, Andreas Advanced Synthesis and Catalysis, 2013 , vol. 355, # 17 p. 3375 - 3380 Carbon dioxide CAS#:124-38-9 Nortriptyline CAS#:72-69-5 Amitriptyline CAS#:50-48-6 Literature: Li, Yuehui; Sorribes, Ivan; Yan, Tao; Junge, Kathrin; Beller, Matthias Angewandte Chemie - International Edition, 2013 , vol. 52, # 46 p. 12156 - 12160 Angew. Chem., 2013 , vol. 125, # 46 p. 12378 - 12382,5 Precursor & DownStream Precursor 6 CAS#:4317-14-0 Amitriptylinoxide CAS#:1159-03-1 5-(3-dimethylam... CAS#:124-38-9 Carbon dioxide CAS#:72-69-5 Nortriptyline DownStream 8 CAS#:24755-73-5 11-prop-2-enyli... CAS#:72-69-5 Nortriptyline CAS#:1159-82-6 10-Hydroxyamitr... CAS#:64520-05-4 amitriptyline m... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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