3-(10,11-Dihydro-5H-dibenzo(a,d)-cyclohepten-5-yliden)-N,N-dime-thyl-1-propanamin-hydrochlorid

AMITRIPTYLINE HCL · amitid · endep · Amitriptyline Hydrochloride (200 mg) · deprex · Normaln · Amiplin · domical

https://huagongshe.com/de/chemical/11065

Molekülstruktur von 3-(10,11-Dihydro-5H-dibenzo(a,d)-cyclohepten-5-yliden)-N,N-dime-thyl-1-propanamin-hydrochlorid

Identifikatoren & physikalische Daten

CAS No.	549-18-8
Summenformel	C20H24ClN
Durchschnittliche Molmasse	313,9 g/mol
Monoisotopische Masse	313,1597275 g/mol
SMILES	CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl
InChIKey	KFYRPLNVJVHZGT-UHFFFAOYSA-N
PubChem CID	11065
ChEMBL	CHEMBL1200964
ChEBI	CHEBI:2667
EC No.	208-964-6
DTXSID	DTXSID9033187
Lokaler Name	3-(10,11-Dihydro-5H-dibenzo(a,d)-cyclohepten-5-yliden)-N,N-dime-thyl-1-propanamin-hydrochlorid

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	3,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	22
Formalladung	0
Komplexität	331
Löslichkeit	>47.1 [ug/mL] (The mean of the results at pH 7.4)H2O: solublealmost transparency
Collision Cross Section	166.3 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	196-197°C
Flammpunkt	11 °C
Lagerbedingungen	2-8°C
Aggregatzustand	powder
pKa (Säurekonstante)	9.4(at 25℃)
Farbe	white to off-white
pH	4.5~6.0 (10g/l, 25℃)
Merck	14,487
Henry-Konstante	1.4×102 mol/(m3Pa) at 25℃, HSDB (2015)
BCS Class	1
InChI	InChI=1S/C20H23N.ClH/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,7,13-15H2,1-2H31H
InChIKey	KFYRPLNVJVHZGT-UHFFFAOYSA-N
SMILES	CN(CC/C=C1/C2=C(C=CC=C2)CCC2=C/1C=CC=C2)C.[H]Cl
CAS Datenbank	549-18-8(CAS DataBase Reference)
EPA chemische Informationen	Amitriptyline hydrochloride (549-18-8)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.7% (1 of 136) of reports.DangerH301 (71.3%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (27.9%): Harmful if swallowed [Warning Acute toxicity, oral]H318 (27.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (35.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H361 (25.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]H361d (13.2%): Suspected of damaging the unborn child [Warning Reproductive toxicity]H362 (26.5%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]H370 (40.4%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]H400 (72.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (72.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P260, P263, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P305+P354+P338, P308+P316, P317, P318, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 136 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 136 reports by companies.There are 20 notifications provided by 135 of 136 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Status: Active Update: 04-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24044Amitriptyline hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen

Anwendungen & Verwendung

Beschreibung

Amitriptyline (hydrochloride) (CRM) (Item No. 19031) is a certified reference material categorized as a tricyclic antidepressant. This product is intended for analytical forensic applications. This product is also available as a general research tool .

Verwenden

Amitriptyline hydrochloride is a tricyclic antidepressant drug. Amitriptyline hydrochloride inhibits the norepinephrine and serotonin transporters but has a high affinity for α1-adrenergic, serotonin and muscarinic acetylcholine receptors.