Gentianine
Gentianine structure
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Common Name | Gentianine | ||
|---|---|---|---|---|
| CAS Number | 439-89-4 | Molecular Weight | 175.184 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 386.5±42.0 °C at 760 mmHg | |
| Molecular Formula | C10H9NO2 | Melting Point | 84-86ºC | |
| MSDS | N/A | Flash Point | 187.6±27.9 °C | |
Use of GentianineGentianine, an active metabolite of Swertiamarin, has anti-diabetic effect and anti-inflammatory property[1][2]. |
Summary: Gentianine, also known as gentianine, has a CAS number of 439-89-4. Its molecular formula is C10H9NO2 and molecular weight is 175.184. It appears as a powder, with a melting point of 84-86℃ and a boiling point of 386.5±42.0 °C, and a density of 1.2±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | gentianine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Gentianine, an active metabolite of Swertiamarin, has anti-diabetic effect and anti-inflammatory property[1][2]. |
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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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 386.5±42.0 °C at 760 mmHg |
| Melting Point | 84-86ºC |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.184 |
| Flash Point | 187.6±27.9 °C |
| Exact Mass | 175.063324 |
| PSA | 39.19000 |
| LogP | 1.73 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.604 |
| InChIKey | DFNZYFAJQPLJFI-UHFFFAOYSA-N |
| SMILES | C=Cc1cncc2c1CCOC2=O |
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.
| Hazard Codes | Xi |
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 0 | |
CAS#:50-00-0![ethyl 5-ethenyl-10-oxo-9-oxa-3-azabicyclo[4.4.0]deca-2,4,7,11-tetraene-8-carboxylate Structure](https://image.chemsrc.com/caspic/436/57110-41-5.png)
CAS#:57110-41-5
CAS#:57110-40-4This 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.
| 4-(2-hydroxyethyl)-5-vinylnicotinic acid δ-lactone |
| 4-<2-Hydroxyaethyl>-5-vinyl-3-pyridin-carboxylic acid lacton |
| 5-VINYLPYRROLIDONE |
| 4-(2-Hydroxyethyl)-5-vinylnicotinic lactone |
| 5-Ethenyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one |
| Gentianine |
| 4-(2-Hydroxyethyl)-5-vinylnicotinic Acid d-Lactone |
| 5-vinylpyrrolidinone |
| 2-Pyrrolidinone,5-ethenyl |
| Erythricine |
| 5-vinyl-pyrrolidin-2-one |
| UNII-C2PD310UXB |
| 5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one |
| 5-Vinyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of gentianine? |
| A: InChIKey of gentianine is DFNZYFAJQPLJFI-UHFFFAOYSA-N. |
| Q: What is the molecular weight of gentianine? |
| A: Molecular weight of gentianine is 175.184. |
| Q: What are the uses of gentianine? |
| A: Main uses of gentianine: Gentianine, an active metabolite of Swertiamarin, has anti-diabetic effect and anti-inflammatory property[1][2]. |
| Q: What is the molecular formula of gentianine? |
| A: Molecular formula of gentianine is C10H9NO2. |
| Q: What is the boiling point of gentianine? |
| A: Boiling point of gentianine is 386.5±42.0 °C at 760 mmHg. |
| Q: What is the CAS number of gentianine? |
| A: CAS number of gentianine is 439-89-4. |
| Q: What is the English name of gentianine? |
| A: The English name of gentianine is gentianine. |
| Q: What is the polar surface area (PSA) of gentianine? |
| A: Polar surface area (PSA) of gentianine is 39.19000. |
| Q: What is the melting point of gentianine? |
| A: Melting point of gentianine is 84-86ºC. |
| Q: What is the SMILES notation of gentianine? |
| A: SMILES notation of gentianine is C=Cc1cncc2c1CCOC2=O. |
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. |
| naturewill |
| Henan Tianfu Chemical Co., Ltd. |