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| Name | Methysergide |
|---|---|
| Synonyms | Biomol-Nt_000155; Bpbio1_000486; C07199 |
| Molecular Structure |  |
| Molecular Formula | C21H27N3O2 |
| Molecular Weight | 353.46 |
| CAS Registry Number | 361-37-5 |
| EINECS | 206-644-0 |
| SMILES | [C@@H]14C(=C[C@@H](C(N[C@H](CO)CC)=O)CN1C)C3=C2C(=C[N](C2=CC=C3)C)C4 |
| InChI | 1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 |
| InChIKey | KPJZHOPZRAFDTN-ZRGWGRIASA-N |
| Density | 1.3±0.1g/cm3 (Cal.) |
|---|---|
| Boiling point | 634.4±55.0°C at 760 mmHg (Cal.) |
| Flash point | 337.5±31.5°C (Cal.) |
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