Sertraline Hydrochloride
SETRALINE HCL · SERTRALINE MANDELATE · Sertraline hydrochlo · Sertraline hydrochloride impurity standard · N-(4(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)NAPHTHALIDENE) METHANAMINE · (1S,4S)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPHTHALENAMINE HYDROCHLORIDE · (1S,4S)-4-(3,4-Dichlorophenyl)-N-Methyl-1,2,3,4-tetrahydronaphthalen-1-aMine hydrochloride · CP-51974-1
식별자 및 물리적 특성
| CAS No. | 79559-97-0 |
|---|---|
| 분자식 | C17H18Cl3N |
| 평균 분자량 | 342.7 g/mol |
| 단동위원소 질량 | 341.05048262 g/mol |
| SMILES | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl |
| InChIKey | BLFQGGGGFNSJKA-XHXSRVRCSA-N |
| PubChem CID | 63009 |
| ChEMBL | CHEMBL1709 |
| ChEBI | CHEBI:9124 |
| EC No. | 616-702-0 |
| DTXSID | DTXSID1040243 |
화학 및 물리적 성질
| 극성 표면적 | 12 |
|---|---|
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 322 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Collision Cross Section | 168.1 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 246-249°C |
| 밀도 | 1.37 |
| 인화점 | 9℃ |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO: ~26mg/mL |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | pKa (water): 9.48 ± 0.04pKa (methanol:water, 40:60 v/v): 8.6pKa (ethanol:water, 1:1 v/v): 8.5(at 25℃) |
| 색상 | 하얀색 |
| Merck | 14,8467 |
| 안정성 | 냉동고에 보관 |
| InChI | InChI=1/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H31H/t12-,17-/s3 |
| InChIKey | BLFQGGGGFNSJKA-TYIRTQGFNA-N |
| SMILES | C12C=CC=CC=1[C@H](CC[C@H]2C1=CC=C(Cl)C(Cl)=C1)NC.Cl |&1:6,9,r| |
화학적 성질
White or almost white, crystalline powder.
안전 및 규제
| GHS 분류 | WarningH302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 116 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | (+)-Sertraline hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.1%) |
| Treatment | Treatment should consist of those general measures employed in the management of overdosage with any antidepressant. Ensure an adequate airway, oxygenation and ventilation. Monitor cardiac rhythm and vital signs. General supportive and symptomatic measures are also recommended. 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 should be administered. Due to large volume of distribution of this drug, forced diuresis, dialysis, hemoperfusion and exchange transfusion are unlikely to be of benefit. No specific antidotes for sertraline are known. (L1712) |
| 노출 경로 | The effects of food on the bioavailability of the sertraline tablet and oral concentrate were studied in subjects administered a single dose with and without food. For the tablet, AUC was slightly increased when drug was administered with food but the Cmax was 25% greater, while the time to reach peak plasma concentration (Tmax) decreased from 8 hours post-dosing to 5.5 hours. For the oral concentrate, Tmax was slightly prolonged from 5.9 hours to 7.0 hours with food. |
| 독성 요약 | The exact mechanism of action sertraline is not fully known, but the drug appears to selectively inhibit the reuptake of serotonin at the presynaptic membrane. This results in an increased synaptic concentration of serotonin in the CNS, which leads to numerous functional changes associated with enhanced serotonergic neurotransmission. It is suggested that these modifications are responsible for the antidepressant action observed during long term administration of antidepressants. It has also been hypothesized that obsessive-compulsive disorder is caused by the dysregulation of serotonin, as it is treated by sertraline, and the drug corrects this imbalance. |
| Signs and Symptoms | Symptoms of toxicity include alopecia, decreased libido, diarrhea, ejaculation disorder, fatigue, insomnia, somnolence and serotonin syndrome. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Sertraline hydrochloridevLess-DILI-concern3Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | QJ0352070 |
| 운송 번호(UN) | UN1230 - class 3 - PG 2 - Methanol, solution |
| 관세 코드 | 29214990 |
| 위험 문구(R) | 36/37/38-39/23/24/25-23/24/25-11 |
| 위험 표시 | Xi,T,F |
| 안전 문구(S) | 22-24/25-36-26-45-36/37-16-7 |
| 위험 등급 | IRRITANTAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Sertraline hydrochloride is a selective serotonin reuptake inhibitor, similar mechanistically to fluoxetine, introduced initially for the maintenance and long-term treatment of depression. It is reportedly non-sedating and compared to fluoxetine has a shorter duration of action and lack of CNS activating effects such as nervousness and anxiety. Sertraline hydrochloride is currently undergoing investigation for the treatment of obesity and obsessive-compulsive disorders.
용도
The effect of exposure of sertraline hydrochloride was studied in chronically prepared ovine fetus. It was used in glucocorticoid function assay to study the effect of antidepressants on glucocorticoid receptor function in humans.
일반 설명
Sertraline, marketed as the brand drug Zoloft, is an SSRI antidepressant used in the treatment of major depression as well as obsessive-compulsive, panic, and social anxiety disorders. This Certified Snap-N-Spike Solution is applicable for use in LC/MS or GC/MS applications for urine drug testing, clinical toxicology, and forensic analysis.