Ergocristinine
Modify Date: 2025-08-25 13:22:47
Ergocristinine structure
|
Common Name | Ergocristinine | ||
|---|---|---|---|---|
| CAS Number | 511-07-9 | Molecular Weight | 609.715 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 912.8±65.0 °C at 760 mmHg | |
| Molecular Formula | C35H39N5O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 505.8±34.3 °C | |
| Name | (5'α,8α)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergota m |
|---|---|
| Synonym | More Synonyms |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 912.8±65.0 °C at 760 mmHg |
| Molecular Formula | C35H39N5O5 |
| Molecular Weight | 609.715 |
| Flash Point | 505.8±34.3 °C |
| Exact Mass | 609.295105 |
| PSA | 121.70000 |
| LogP | 4.45 |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.721 |
| InChIKey | HEFIYUQVAZFDEE-NASJTFDLSA-N |
| SMILES | CC(C)C1(NC(=O)C2C=C3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |
| RIDADR | UN 1544 |
|---|---|
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| 12'-Hydroxy-2'-(1-methylethyl)-5'a-(phenylmethyl)-8a-ergotaman-3',6',18-trione |
| Ergocristinin |
| 5-Benzyl-1,3-dimethyluracil |
| 5'-benzyl-12'-hydroxy-2'-isopropyl-ergotamane-18,3',6'-trione |
| (5'α,8α)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman |
| (8α)-5'α-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione |
| Ergocristinine |
| 5-benzyl-1,3-dimethyl-1H-pyrimidine-2,4-dione |