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Basic Description
| Synonyms | 551-08-6 | n-butylidenephthalide | (Z)-Butylidenephthalide | 3-Butylidenephthalide | 72917-31-8 | Butylidenephthalide | BdPh | 1(3H)-Isobenzofuranone, 3-butylidene-, (3Z)- | (Z)-3-Butylidenephthalide | Ligusticum lactone | 3-Butylideneisobenzofuran-1(3H)-one | Z-butylidenephth |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In | Ice chest + Ice pads |
| Product Description | 3-Butylidenephthalide is a bioactive phthalide compound of Chuanxiong rhizoma, a Chinese herbal medicine used for treating headache obtained from the root of Ligusticum chuanxiong Hort. |
Associated Targets(Human)
Associated Targets(non-human)
Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)
Drosophila melanogaster (359 Activities)
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Ctenocephalides felis (292 Activities)
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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
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Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)
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Bemisia tabaci (599 Activities)
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Plasma (328 Activities)
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Dermatophagoides farinae (123 Activities)
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Tyrophagus putrescentiae (89 Activities)
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Names and Identifiers
| IUPAC Name | (3Z)-3-butylidene-2-benzofuran-1-one |
|---|---|
| INCHI | InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8- |
| InChi Key | WMBOCUXXNSOQHM-FLIBITNWSA-N |
| Canonical SMILES | CCCC=C1C2=CC=CC=C2C(=O)O1 |
| Isomeric SMILES | CCC/C=C\1/C2=CC=CC=C2C(=O)O1 |
| WGK Germany | 3 |
| RTECS | TI3692500 |
| PubChem CID | 642376 |
| Molecular Weight | 188.22 |
Certificates
Certificate of Analysis(COA)
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Chemical and Physical Properties
| Refractive Index | n20/D 1.577 |
|---|---|
| Boil Point(°C) | 139-142 °C/5 mmHg |
Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
|---|---|
| Signal | Warning |
| Hazard Statements | H302:Harmful if swallowed |
| Precautionary Statements | P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. |
| WGK Germany | 3 |
| RTECS | TI3692500 |