3-n-Butylphthalide
3-n-Butylphthalide structure
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Common Name | 3-n-Butylphthalide | ||
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| CAS Number | 6066-49-5 | Molecular Weight | 190.238 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 312.8±31.0 °C at 760 mmHg | |
| Molecular Formula | C12H14O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 128.3±22.2 °C | |
Use of 3-n-ButylphthalideButylphthalide(3-n-Butylphthalide) is an anti-cerebral-ischemia drug; first isolated from the seeds of celery, showed efficacy in animal models of stroke.IC50 value:Target:3-n-butylphthalide alleviates oxidative stress caused by chronic cerebral ischemia, improves cholinergic function, and inhibits amyloid beta accumulation, thereby improving cerebral neuronal injury and cognitive deficits [2]. Intragastric NBP administration to 4-month-old SAMP8 mice for 2 months significantly improved spatial learning and memory ability. Moreover, the loss of choline acetyltransferase (ChAT)-positive neurons in the medial septal nucleus and the vertical limb of the diagonal band in SAMP8 mice was slowed down, as was the decline in the protein and mRNA expression of ChAT in the hippocampus, cerebral cortex, and forebrain [4]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Butylisobenzofuran-1(3H)-one |
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| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Butylphthalide(3-n-Butylphthalide) is an anti-cerebral-ischemia drug; first isolated from the seeds of celery, showed efficacy in animal models of stroke.IC50 value:Target:3-n-butylphthalide alleviates oxidative stress caused by chronic cerebral ischemia, improves cholinergic function, and inhibits amyloid beta accumulation, thereby improving cerebral neuronal injury and cognitive deficits [2]. Intragastric NBP administration to 4-month-old SAMP8 mice for 2 months significantly improved spatial learning and memory ability. Moreover, the loss of choline acetyltransferase (ChAT)-positive neurons in the medial septal nucleus and the vertical limb of the diagonal band in SAMP8 mice was slowed down, as was the decline in the protein and mRNA expression of ChAT in the hippocampus, cerebral cortex, and forebrain [4]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 312.8±31.0 °C at 760 mmHg |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.238 |
| Flash Point | 128.3±22.2 °C |
| Exact Mass | 190.099380 |
| PSA | 26.30000 |
| LogP | 3.08 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.525 |
| InChIKey | HJXMNVQARNZTEE-UHFFFAOYSA-N |
| SMILES | CCCCC1OC(=O)c2ccccc21 |
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 covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2932209090 |
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This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Butyl-phthalide |
| 3-Butyl-2-benzofuran-1(3H)-one |
| UNII:822Q956KGM |
| Butylphthalide |
| 3-n-butylphthalide |
| 3-Butylphthalide |
| EINECS 228-000-8 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-Butylisobenzofuran-1(3H)-one? |
| A: SMILES notation of 3-Butylisobenzofuran-1(3H)-one is CCCCC1OC(=O)c2ccccc21. |
| Q: What is the boiling point of 3-Butylisobenzofuran-1(3H)-one? |
| A: Boiling point of 3-Butylisobenzofuran-1(3H)-one is 312.8±31.0 °C at 760 mmHg. |
| Q: What is the English name of 3-Butylisobenzofuran-1(3H)-one? |
| A: The English name of 3-Butylisobenzofuran-1(3H)-one is 3-Butylisobenzofuran-1(3H)-one. |
| Q: What is the molecular formula of 3-Butylisobenzofuran-1(3H)-one? |
| A: Molecular formula of 3-Butylisobenzofuran-1(3H)-one is C12H14O2. |
| Q: What is the InChIKey of 3-Butylisobenzofuran-1(3H)-one? |
| A: InChIKey of 3-Butylisobenzofuran-1(3H)-one is HJXMNVQARNZTEE-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-Butylisobenzofuran-1(3H)-one have? |
| A: English synonyms of 3-Butylisobenzofuran-1(3H)-one: 3-Butyl-phthalide, 3-Butyl-2-benzofuran-1(3H)-one, UNII:822Q956KGM, Butylphthalide, 3-n-butylphthalide, 3-Butylphthalide, EINECS 228-000-8. |
| Q: What is the polar surface area (PSA) of 3-Butylisobenzofuran-1(3H)-one? |
| A: Polar surface area (PSA) of 3-Butylisobenzofuran-1(3H)-one is 26.30000. |
| Q: What is the LogP of 3-Butylisobenzofuran-1(3H)-one? |
| A: LogP of 3-Butylisobenzofuran-1(3H)-one is 3.08. |
| Q: What is the CAS number of 3-Butylisobenzofuran-1(3H)-one? |
| A: CAS number of 3-Butylisobenzofuran-1(3H)-one is 6066-49-5. |
| Q: What is the molecular weight of 3-Butylisobenzofuran-1(3H)-one? |
| A: Molecular weight of 3-Butylisobenzofuran-1(3H)-one is 190.238. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |