Introduction：Basic information about CAS 639-81-6|ERGOTAMININE (100 MG) (LIST CHEMICAL), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ERGOTAMININE (100 MG) (LIST CHEMICAL) |
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| CAS Number | 639-81-6 | Molecular Weight | 581.66100 |
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| Density | 1.47g/cm3 | Boiling Point | 914.5ºC at 760 mmHg |
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| Molecular Formula | C33H35N5O5 | Melting Point | / |
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| MSDS | / | Flash Point | 506.9ºC |
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Names
| Name | (5'α,8α)-5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotam |
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Chemical & Physical Properties
| Density | 1.47g/cm3 |
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| Boiling Point | 914.5ºC at 760 mmHg |
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| Molecular Formula | C33H35N5O5 |
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| Molecular Weight | 581.66100 |
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| Flash Point | 506.9ºC |
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| Exact Mass | 581.26400 |
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| PSA | 121.70000 |
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| LogP | 2.64480 |
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| Index of Refraction | 1.743 |
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| InChIKey | XCGSFFUVFURLIX-BRMNWJGKSA-N |
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| SMILES | CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21 |
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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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