Ergovaline Tartrate
[CAS# 3398-46-7]

Identification

• Name: Ergovaline Tartrate
• Synonyms: Ergovaline Mesylate; Ergovaline Methanesulphonate; Ergovaline Monomethanesulfonate
• Molecular Formula: C₃₀H₃₉N₅O₈S
• Molecular Weight: 629.73
• CAS Registry Number: 3398-46-7
• SMILES: [C@]56(O[C@@](NC(=O)[C@@H]1C=C2[C@H](N(C1)C)CC3=C[NH]C4=CC=CC2=C34)(C(=O)N5[C@H](C(=O)N7[C@H]6CCC7)C(C)C)C)O.C[S](=O)(=O)O
• InChI: 1S/C29H35N5O5.CH4O3S/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17;1-5(2,3)4/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35);1H3,(H,2,3,4)/t17-,21-,22+,24+,28-,29+;/m1./s1
• InChIKey: NIQGSXHMSRFNPL-YQSRWRAYSA-N

Properties

• Boiling point: 859.1°C at 760 mmHg (Cal.)
• Flash point: 473.4°C (Cal.)