TRANS-(E)-FLUPENTHIXOL
TRANS-(E)-FLUPENTHIXOL structure
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Common Name | TRANS-(E)-FLUPENTHIXOL | ||
|---|---|---|---|---|
| CAS Number | 53772-85-3 | Molecular Weight | 434.51800 | |
| Density | 1.306 g/cm3 | Boiling Point | 289.3ºC | |
| Molecular Formula | C23H25F3N2OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.306 g/cm3 |
|---|---|
| Boiling Point | 289.3ºC |
| Molecular Formula | C23H25F3N2OS |
| Molecular Weight | 434.51800 |
| Exact Mass | 434.16400 |
| PSA | 52.01000 |
| LogP | 4.47750 |
| InChIKey | NJMYODHXAKYRHW-BLLMUTORSA-N |
| SMILES | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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TRANS-(E)-FLUPE... CAS#:53772-85-3 |
| Literature: LABORATORIO CHIMICO INTERNAZIONALE S.P.A. Patent: WO2005/37820 A1, 2005 ; Location in patent: Page/Page column 8-9 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Anti MDR activity was expressed as MDR ratio or MDR fold reversal in doxorubicin resi...
Source: ChEMBL
Target: MCF7-DOX
External Id: CHEMBL710914
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Name: Hypothermia in mice after perorla administration
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL718440
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Name: Displacement of [3H](-)-trans-H2-PAT from Guinea pig histamine H2 receptors.
Source: ChEMBL
Target: Histamine H2 receptor
External Id: CHEMBL693176
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Name: The compound was tested for affinity towards sigma-3 receptor
Source: ChEMBL
Target: Sigma non-opioid intracellular receptor 1
External Id: CHEMBL805753
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Name: Compound was evaluated for its ability to block conditioned avoidance response (CAR) ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL774761
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Name: Lethal dose in mice after perorla administration
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL739104
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Name: Hypothermia in mice after peroral administration
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL736898
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Name: TP_TRANSPORTER: inhibition of Azidopine photoaffinity labelling (Azidopine: 0.2 uM, t...
Source: ChEMBL
Target: ATP-dependent translocase ABCB1
External Id: CHEMBL2075197
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| FLUPENTHIXOL |
| trans-Flupentixol |
| FLUPENTIXOLE |
| EINECS 258-759-0 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: The English name of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol. |
| Q: What is the LogP of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: LogP of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is 4.47750. |
| Q: What is the molecular weight of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: Molecular weight of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is 434.51800. |
| Q: What is the boiling point of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: Boiling point of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is 289.3ºC. |
| Q: What is the SMILES notation of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: SMILES notation of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1. |
| Q: What is the molecular formula of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: Molecular formula of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is C23H25F3N2OS. |
| Q: What is the Chinese name of 53772-85-3? |
| A: Chinese name of 53772-85-3 is 53772-85-3. |
| Q: What is the polar surface area (PSA) of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: Polar surface area (PSA) of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is 52.01000. |
| Q: What English synonyms does 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol have? |
| A: English synonyms of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol: FLUPENTHIXOL, trans-Flupentixol, FLUPENTIXOLE, EINECS 258-759-0. |
| Q: What is the InChIKey of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol? |
| A: InChIKey of 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol is NJMYODHXAKYRHW-BLLMUTORSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |