Introduction：Basic information about CAS 139079-39-3|7-Hydroxyquetiapine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-Hydroxyquetiapine |
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| CAS Number | 139079-39-3 | Molecular Weight | 399.50700 |
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| Density | 1.33 g/cm3 | Boiling Point | 612.4ºC at 760 mmHg |
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| Molecular Formula | C21H25N3O3S | Melting Point | 56-60ºC |
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| MSDS | / | Flash Point | 324.2ºC |
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| Symbol |
GHS02, GHS06, GHS08 | Signal Word | Danger |
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Names
| Name | 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol |
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| Synonym | More Synonyms |
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7-Hydroxyquetiapine BiologicalActivity
| Description | 7-Hydroxyquetiapine (ICI 214227) is the major active metabolite of antipsychotic medicine Quetiapine[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease |
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| References | [1]. Bakken GV, et al. Metabolism of quetiapine by CYP3A4 and CYP3A5 in presence or absence of cytochrome B5. Drug Metab Dispos. 2009 Feb;37(2):254-8. |
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Chemical & Physical Properties
| Density | 1.33 g/cm3 |
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| Boiling Point | 612.4ºC at 760 mmHg |
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| Melting Point | 56-60ºC |
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| Molecular Formula | C21H25N3O3S |
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| Molecular Weight | 399.50700 |
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| Flash Point | 324.2ºC |
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| Exact Mass | 399.16200 |
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| PSA | 93.83000 |
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| LogP | 1.87300 |
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| Vapour Pressure | 7.5E-16mmHg at 25°C |
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| Index of Refraction | 1.666 |
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| InChIKey | VEGVCHRFYPFJFO-UHFFFAOYSA-N |
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| SMILES | OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1 |
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| Storage condition | -20°C Freezer |
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Safety Information
| Symbol |
GHS02, GHS06, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H225-H301 + H311 + H331-H370 |
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| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
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| Hazard Codes | F,T |
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| Risk Phrases | 11-23/24/25-39/23/24/25 |
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| Safety Phrases | 16-36/37-45 |
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| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
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Articles1
More Articles
| Determination of an antipsychotic agent (ICI 204,636) and its 7-hydroxy metabolite in human plasma by high-performance liquid chromatography and gas chromatography-mass spectrometry. J. Chromatogr. A. 573(1) , 49-57, (1992) ICI 204,636 (I) is an orally active antipsychotic agent under development for the treatment of schizophrenia in humans. It is partially converted in animals to an active 7-hydroxy metabolite (II). Met... | |
Synonyms
| 7-Hydroxy Quetiapine |
| 7-Hydroxyquetiapine |
| 11-[4-[2-(2-Hydroxyethoxy)Ethyl]-1-Piperazinyl]-Dibenzo[b,f][1,4]Thiazepin-7-Ol |
| Quetiapine Impurity 35 |
