alpha-ergocryptine
alpha-ergocryptine structure
|
Common Name | alpha-ergocryptine | ||
|---|---|---|---|---|
| CAS Number | 511-09-1 | Molecular Weight | 575.698 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 861.7±65.0 °C at 760 mmHg | |
| Molecular Formula | C32H41N5O5 | Melting Point | 152-154ºC | |
| MSDS | N/A | Flash Point | 475.0±34.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | α-ergocryptine |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 861.7±65.0 °C at 760 mmHg |
| Melting Point | 152-154ºC |
| Molecular Formula | C32H41N5O5 |
| Molecular Weight | 575.698 |
| Flash Point | 475.0±34.3 °C |
| Exact Mass | 575.310791 |
| PSA | 118.21000 |
| LogP | 4.08 |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.681 |
| InChIKey | YDOTUXAWKBPQJW-NSLWYYNWSA-N |
| SMILES | CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 2 | |
CAS#:25447-66-9
CAS#:25614-03-3This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione |
| Ergocryptine |
| 12'-hydroxy-5' |
| alpha-ergocryptine |
| (5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman |
| α-Ergocryptine |
| a-Ergocryptine |
| 12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione |
| 12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione |
| (6aR,9R)-N-[(2R,5S,10aS,10bS)-10b-Hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide |
| (5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman |
| 4-25-00-00964 |
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 α-ergocryptine? |
| A: SMILES notation of α-ergocryptine is CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12. |
| Q: What is the polar surface area (PSA) of α-ergocryptine? |
| A: Polar surface area (PSA) of α-ergocryptine is 118.21000. |
| Q: What is the English name of α-ergocryptine? |
| A: The English name of α-ergocryptine is α-ergocryptine. |
| Q: What is the molecular formula of α-ergocryptine? |
| A: Molecular formula of α-ergocryptine is C32H41N5O5. |
| Q: What is the melting point of α-ergocryptine? |
| A: Melting point of α-ergocryptine is 152-154ºC. |
| Q: What is the LogP of α-ergocryptine? |
| A: LogP of α-ergocryptine is 4.08. |
| Q: What are the downstream products of α-ergocryptine? |
| A: Related downstream products(CAS) of α-ergocryptine: 25447-66-9;25614-03-3. |
| Q: What is the CAS number of α-ergocryptine? |
| A: CAS number of α-ergocryptine is 511-09-1. |
| Q: What is the InChIKey of α-ergocryptine? |
| A: InChIKey of α-ergocryptine is YDOTUXAWKBPQJW-NSLWYYNWSA-N. |
| Q: What is the boiling point of α-ergocryptine? |
| A: Boiling point of α-ergocryptine is 861.7±65.0 °C at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |