Duloxetine Hydrochloride

DULOXETINE HCL · Duloxetime · DuL · (S)-DULOXETINE HYDROCHLORIDE · CS-488 · LY-248686 · LY-248686 HCl · CAS:136434-34-9

https://huagongshe.com/de/chemical/60834

Molekülstruktur von Duloxetine Hydrochloride

Identifikatoren & physikalische Daten

CAS No.	136434-34-9
Summenformel	C18H20ClNOS
Durchschnittliche Molmasse	333,9 g/mol
Monoisotopische Masse	333,09541294 g/mol
SMILES	CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl
InChIKey	BFFSMCNJSOPUAY-LMOVPXPDSA-N
PubChem CID	60834
ChEMBL	CHEMBL1200328
ChEBI	CHEBI:31526
EC No.	603-962-5
DTXSID	DTXSID9046443

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	49,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	6
Schwere Atome	22
Formalladung	0
Komplexität	312
Human Drugs	Breast FeedingLactationMilk, HumanAntidepressive AgentsSerotonin-Norepinephrine Reuptake InhibitorsFDA approved drugs -> Active ingredientEMA approved medicines: Human medicine
Collision Cross Section	168.9 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	118-122°C
Flammpunkt	9℃
Lagerbedingungen	room temp
Löslichkeit	H2O: soluble5mg/mL (clear solution, warmed)
pKa (Säurekonstante)	pKa in DMF-water (66:34): 9.6(at 25℃)
Aggregatzustand	powder
Farbe	white to beige
Merck	14,3465
Hauptanwendungen	pharmaceutical (small molecule)
InChI	InChI=1/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H31H/t17-/s3
InChIKey	BFFSMCNJSOPUAY-VOPAOICTNA-N
SMILES	C1(=CC=CS1)[C@H](CCNC)OC1=CC=CC2=CC=CC=C12.Cl \|&1:5,r\|

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P354+P338, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (15.2%)
Treatment	There is no specific antidote to Duloxetine, but if serotonin syndrome ensues, specific treatment (such as with cyproheptadine and/or temperature control) may be considered. In case of acute overdose, treatment should consist of those general measures employed in the management of overdose with any drug. An adequate airway, oxygenation, and ventilation should be assured, and cardiac rhythm and vital signs should be monitored. Induction of emesis is not recommended. Gastric lavage with a large-bore orogastric tube with appropriate airway protection, if needed, may be indicated if performed soon after ingestion or in symptomatic patients. Activated charcoal may be useful in limiting absorption of duloxetine from the gastrointestinal tract. Administration of activated charcoal has been shown to decrease AUC and Cmax by an average of one-third, although some subjects had a limited effect of activated charcoal. Due to the large volume of distribution of this drug, forced diuresis, dialysis, hemoperfusion, and exchange transfusion are unlikely to be beneficial. (L1712)
Expositionspfade	Orally administered duloxetine hydrochloride is well absorbed.
Toxizitätsübersicht	Duloxetine is a potent inhibitor of neuronal serotonin and norepinephrine reuptake and a less potent inhibitor of dopamine reuptake. Duloxetine has no significant affinity for dopaminergic, adrenergic, cholinergic, histaminergic, opioid, glutamate, and GABA receptors. The antidepressant and pain inhibitory actions of duloxetine are believed to be related to its potentiation of serotonergic and noradrenergic activity in the CNS. The mechanism of action of duloxetine in SUI has not been determined, but is thought to be associated with the potentiation of serotonin and norepinephrine activity in the spinal cord, which increases urethral closure forces and thereby reduces involuntary urine loss.
Signs and Symptoms	Symptoms of overdose include tremors, convulsions, reduced activity, slow pupillary response, intermittent tremors, and rigidity.

Anwendungen & Verwendung

Verwenden

Duloxetine Hydrochloride acts as an antidepressant and a dual serotonin and norepinephrine reuptake inhibitor (SNRI) (1,2). Exhibits linear pharmacokinetics in mice and is not associated in any drastic changes of blood pressure or heart rate (3).