CAS Number111974-72-2
SynonymsMFCD03423782; 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate; Quetiapine Hemifumarate; 2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy}ethanol 2-butenedioate (2:1); Quetiapine fumarate; Quetiapine hemifumarate salt; Quetiapine (fumarate)
Molecular FormulaC23H27N3O4S
Molecular Weight441.54
Purity98.00%
Boiling Point556.5ºC at 760 mmHg
Melting Point174-176°C
Appearanceliquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 111974-72-2 |
| Catalog No. | 2A-9050611 |
| Chinese Name | 富马酸喹硫平 |
| Synonyms | MFCD03423782; 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol hemifumarate; Quetiapine Hemifumarate; 2-{2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy}ethanol 2-butenedioate (2:1); Quetiapine fumarate; Quetiapine hemifumarate salt; Quetiapine (fumarate) |
| Molecular Formula | C23H27N3O4S |
| Molecular Weight | 441.54 |
| Purity | 98.00 |
| Boiling Point | 556.5ºC at 760 mmHg |
| Melting Point | 174-176°C |
| Appearance | liquid |
| Water Solubility | Water solubility: virtually insoluble; soluble in: |
| Storage Condition | -20°C Freezer |
| Packaging | III |
| Application | Quetiapine fumarate is an atypical antipsychotic compound that can act on schizophrenia, bipolar depression, etc. |
| HTC | 2934999090 |
| SMILES | OC(=O)\C=C\C(O)=O.OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24.OCCOCCN5CCN(CC5)C6=Nc7ccccc7Sc8ccccc68 |
| InChI | 1S/2C21H25N3O2S.C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
| InChI Key | ZTHJULTYCAQOIJ-WXXKFALUSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | 3 |
| MSDS | msds/50611_1_111974_72_2.pdf |
| Bioactivity | Quetiapine fumarate is an atypical antipsychotic used in the treatment of schizophrenia, bipolar I mania, bipolar II depression, bipolar I depression.IC50 value: Target: 5-HT ReceptorQuetiapine is indicated for the treatment of schizophrenia as well as for the treatment of acute manic episodes associated with bipolar I disorder. The antipsychotic effect of quetiapine is thought by some to be mediated through antagonist activity at dopamine and serotonin receptors. Specifically the D1 and D2 dopamine, the alpha 1 adrenoreceptor and alpha 2 adrenoreceptor, and 5-HT1A and 5-HT2 serotonin receptor subtypes are antagonized. Quetiapine also has an antagonistic effect on the histamine H1 receptor. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease References [1]. Sheehan DV, Locklear J, Sveds?ter H, Datto C. Long-term functioning and sleep quality in patients with major depressive disorder treated with extended-release quetiapine fumarate. Int Clin Psychopharmacol. 2012 Sep;27(5):239-48. [2]. Endicott J, Sveds?ter H, Locklear JC. Effects of once-daily extended release quetiapine fumarate on patient-reported outcomes in patients with generalized anxiety disorder. Neuropsychiatr Dis Treat. 2012;8:301-311. [3]. Lee JG, Lee JI, Kim YT, Kim CE, Kim CY, Yoon JS, Yoo SY, Kim YH. Safety of quetiapine fumarate extended release in the treatment of Korean patients with acute schizophrenia. Hum Psychopharmacol. 2012 Jul;27(4):403-10. doi: 10.1002/hup.2241. [4]. Thase ME, Demyttenaere K, Earley WR, Gustafsson U, Udd M, Eriksson H. Extended release quetiapine fumarate in major depressive disorder: analysis in patients with anxious depression. Depress Anxiety. 2012 Jul;29(7):574-86. doi: 10.1002/da.21970. [5]. Katila H, Mezhebovsky I, Mulroy A, Berggren L, Eriksson H, Earley W, Datto C. Randomized, Double-Blind Study of the Efficacy and Tolerability of Extended Release Quetiapine Fumarate (Quetiapine XR) Monotherapy in Elderly Patients With Major Depressive Di Chemical & Physical Properties Boiling Point 556.5ºC at 760 mmHg Melting Point 174-176°C Molecular Formula C23H27N3O4S Molecular Weight 441.54 Flash Point 290.4ºC PSA 221.80000 LogP 4.04660 Vapour Pressure 3.22E-13mmHg at 25°C InChIKey VRHJBWUIWQOFLF-UHFFFAOYSA-N SMILES O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 Storage condition -20°C Freezer |
| Use of | Quetiapine fumarate is an atypical antipsychotic used in the treatment of schizophrenia, bipolar I mania, bipolar II depression, bipolar I depression.IC50 value: Target: 5-HT ReceptorQuetiapine is indicated for the treatment of schizophrenia as well as for the treatment of acute manic episodes associated with bipolar I disorder. The antipsychotic effect of quetiapine is thought by some to be mediated through antagonist activity at dopamine and serotonin receptors. Specifically the D1 and D2 dopamine, the alpha 1 adrenoreceptor and alpha 2 adrenoreceptor, and 5-HT1A and 5-HT2 serotonin receptor subtypes are antagonized. Quetiapine also has an antagonistic effect on the histamine H1 receptor. Properties Name quetiapine fumarate Synonym More Synonyms Quetiapine Fumarate Biological Activity Description Quetiapine fumarate is an atypical antipsychotic used in the treatment of schizophrenia, bipolar I mania, bipolar II depression, bipolar I depression.IC50 value: Target: 5-HT ReceptorQuetiapine is indicated for the treatment of schizophrenia as well as for the treatment of acute manic episodes associated with bipolar I disorder. The antipsychotic effect of quetiapine is thought by some to be mediated through antagonist activity at dopamine and serotonin receptors. Specifically the D1 and D2 dopamine, the alpha 1 adrenoreceptor and alpha 2 adrenoreceptor, and 5-HT1A and 5-HT2 serotonin receptor subtypes are antagonized. Quetiapine also has an antagonistic effect on the histamine H1 receptor. Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease References [1]. Sheehan DV, Locklear J, Sveds?ter H, Datto C. Long-term functioning and sleep quality in patients with major depressive disorder treated with extended-release quetiapine fumarate. Int Clin Psychopharmacol. 2012 Sep;27(5):239-48. [2]. Endicott J, Sveds?ter H, Locklear JC. Effects of once-daily extended release quetiapine fumarate on patient-reported outcomes in patients with generalized anxiety disorder. Neuropsychiatr Dis Treat. 2012;8:301-311. [5]. Katila H, Mezhebovsky I, Mulroy A, Berggren L, Eriksson H, Earley W, Datto C. Randomized, Double-Blind Study of the Efficacy and Tolerability of Extended Release Quetiapine Fumarate (Quetiapine XR) Monotherapy in Elderly Patients With Major Depressive Di Chemical & Physical Properties Molecular Formula C23H27N3O4S PSA 221.80000 LogP 4.04660 InChIKey VRHJBWUIWQOFLF-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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