Introduction：Basic information about CAS 511-07-9|Ergocristinine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ergocristinine |
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| CAS Number | 511-07-9 | Molecular Weight | 609.715 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 912.8±65.0 °C at 760 mmHg |
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| Molecular Formula | C35H39N5O5 | Melting Point | / |
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| MSDS | / | Flash Point | 505.8±34.3 °C |
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Names
| Name | (5'α,8α)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergota m |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 912.8±65.0 °C at 760 mmHg |
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| Molecular Formula | C35H39N5O5 |
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| Molecular Weight | 609.715 |
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| Flash Point | 505.8±34.3 °C |
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| Exact Mass | 609.295105 |
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| PSA | 121.70000 |
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| LogP | 4.45 |
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| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
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| Index of Refraction | 1.721 |
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| InChIKey | HEFIYUQVAZFDEE-NASJTFDLSA-N |
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| SMILES | CC(C)C1(NC(=O)C2C=C3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O |
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Safety Information
| RIDADR | UN 1544 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| 12'-Hydroxy-2'-(1-methylethyl)-5'a-(phenylmethyl)-8a-ergotaman-3',6',18-trione |
| Ergocristinin |
| 5-Benzyl-1,3-dimethyluracil |
| Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,8α)- |
| 5'-benzyl-12'-hydroxy-2'-isopropyl-ergotamane-18,3',6'-trione |
| (5'α,8α)-5'-Benzyl-12'-hydroxy-2'-isopropyl-3',6',18-trioxoergotaman |
| Ergotaman, 12'-hydroxy-2'-(1-methylethyl)-3',6',18-trioxo-5'-(phenylmethyl)-, (5'α,8α)- |
| (8α)-5'α-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione |
| Ergocristinine |
| 5-benzyl-1,3-dimethyl-1H-pyrimidine-2,4-dione |
