Tetrahydroberberine
Tetrahydroberberine structure
|
Common Name | Tetrahydroberberine | ||
|---|---|---|---|---|
| CAS Number | 522-97-4 | Molecular Weight | 339.385 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 476.1±45.0 °C at 760 mmHg | |
| Molecular Formula | C20H21NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 141.1±25.9 °C | |
Use of TetrahydroberberineTetrahydroberberine is an isoquinoline alkaloid isolated from corydalis tuber; has micromolar affinity for dopamine D(2) (pK(i) = 6.08) and 5-HT(1A) (pK(i) = 5.38) receptors but moderate to no affinity for other relevant serotonin receptors (5-HT(1B), 5-HT(1D), 5-HT(3), and 5-HT(4); pK(i) < 5.00). |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | canadine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Tetrahydroberberine is an isoquinoline alkaloid isolated from corydalis tuber; has micromolar affinity for dopamine D(2) (pK(i) = 6.08) and 5-HT(1A) (pK(i) = 5.38) receptors but moderate to no affinity for other relevant serotonin receptors (5-HT(1B), 5-HT(1D), 5-HT(3), and 5-HT(4); pK(i) < 5.00). |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 476.1±45.0 °C at 760 mmHg |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.385 |
| Flash Point | 141.1±25.9 °C |
| Exact Mass | 339.147064 |
| PSA | 40.16000 |
| LogP | 3.83 |
| Appearance of Characters | solid | yellow |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.656 |
| InChIKey | VZTUIEROBZXUFA-UHFFFAOYSA-N |
| SMILES | COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4 |
| Storage condition | 2-8°C |
| Water Solubility | DMSO: >10 mg/mL, soluble |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | R22 |
| Safety Phrases | 36 |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 6 | |
CAS#:50-00-0
CAS#:74203-90-0![6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine,5,8,13,13a-tetrahydro-9,10-dimethoxy Structure](https://image.chemsrc.com/caspic/313/29074-38-2.png)
CAS#:29074-38-2![(1S)-1-[3,4-dimethoxy-2-(S)-p-tolylsulfinyl]benzyl-6,7-methylenedioxy-2-(S)-p-tolylsulfinyl-1,2,3,4-tetrahydroisoquinoline Structure](https://image.chemsrc.com/caspic/307/1356336-75-8.png)
CAS#:1356336-75-8
CAS#:483-15-8
CAS#:4263-84-7
CAS#:6880-91-7
CAS#:485-91-6
CAS#:10134-52-8
CAS#:47474-49-7This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| l-Xanthopuccine |
| Hydroberberine |
| 9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline |
| 9,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline |
| canadine |
| Tetrahydroberberine,THB |
| l-Canadine |
| (±)-Canadine |
| EINECS 208-338-2 |
| 5,6,13,13a-Tetrahydro-9,10-dimethoxy-2,3-(methylenedioxy)-8H-dibenzo[a,g]quinolizine |
| MFCD00067284 |
| dl-Canadine |
| UNII:V2SSH085X8 |
| l-Tetrahydroberberine |
| 5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine |
| THB |
| Tetrahydroberberine |
| 5,6,13,13a-Tetrahydro-9,10-dimethoxy-2,3-(methylenedioxy)-8H-dibenzo(a,g)quinolizine |
| dl-Tetrahydroberberine |
| 9,10-bis(methyloxy)-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline |
| xanthopuccine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of canadine? |
| A: Molecular weight of canadine is 339.385. |
| Q: What are the uses of canadine? |
| A: Main uses of canadine: Tetrahydroberberine is an isoquinoline alkaloid isolated from corydalis tuber; has micromolar affinity for dopamine D(2) (pK(i) = 6.08) and 5-HT(1A) (pK(i) = 5.38) receptors but moderate to no affinity for other relevant serotonin receptors (5-HT(1B), 5-HT(1D), 5-HT(3), and 5-HT(4); pK(i) < 5.00). |
| Q: What is the molecular formula of canadine? |
| A: Molecular formula of canadine is C20H21NO4. |
| Q: What is the InChIKey of canadine? |
| A: InChIKey of canadine is VZTUIEROBZXUFA-UHFFFAOYSA-N. |
| Q: What is the boiling point of canadine? |
| A: Boiling point of canadine is 476.1±45.0 °C at 760 mmHg. |
| Q: What are the downstream products of canadine? |
| A: Related downstream products(CAS) of canadine: 483-15-8;4263-84-7;6880-91-7;485-91-6;10134-52-8;47474-49-7. |
| Q: What is the SMILES notation of canadine? |
| A: SMILES notation of canadine is COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4. |
| Q: What is the polar surface area (PSA) of canadine? |
| A: Polar surface area (PSA) of canadine is 40.16000. |
| Q: What are the storage conditions for canadine? |
| A: Storage conditions for canadine: 2-8°C. |
| Q: What is the CAS number of canadine? |
| A: CAS number of canadine is 522-97-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |