Sermion
[CAS# 32222-75-6]

Identification

• Name: Sermion
• Synonyms: 5-Bromo-3-(10-Methoxy-1,6-Dimethylergolin-8Beta-Ylmethoxycarbonyl)Pyridinium Hydrogen (R-(R*,R*))-Tartrate; Adavin
• Molecular Formula: C₂₈H₃₂BrN₃O₉
• Molecular Weight: 634.48
• CAS Registry Number: 32222-75-6
• EINECS: 250-964-3
• SMILES: [C@]13(OC)[C@H](N(C[C@@H](C1)COC(=O)C2=CC(=C[NH+]=C2)Br)C)CC4=C[N](C5=CC=CC3=C45)C.[C@@H](O)(C(O)C(=O)O)C([O-])=O
• InChI: 1S/C24H26BrN3O3.C4H6O6/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16;5-1(3(7)8)2(6)4(9)10/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t15-,21-,24-;1-,2?/m11/s1
• InChIKey: HPTSPLOLRPLNPI-PPOPTZJYSA-N

Properties

• Boiling point: 594.4°C at 760 mmHg (Cal.)
• Flash point: 313.3°C (Cal.)