(+-)-1,6-Dimethyl-9-Oxaergoline Ethanedioate (1:1)
[CAS# 80917-59-5]

Identification

• Name: (+-)-1,6-Dimethyl-9-Oxaergoline Ethanedioate (1:1)
• Synonyms: (6Ars,10Ars)-4,6,6A,8,9,10A-Hexahydro-4,7-Dimethyl-7H-Indolo(3,4-Gh)(1,4)Benzoxazine Oxalate; 9-Oxaergoline, 1,6-Dimethyl-, (+-), Ethanedioate (1:1)
• Molecular Formula: C₁₇H₂₀N₂O₅
• Molecular Weight: 332.36
• CAS Registry Number: 80917-59-5
• SMILES: [C@H]13OCCN([C@@H]1CC2=C[N](C4=C2C3=CC=C4)C)C.O=C(O)C(=O)O
• InChI: 1S/C15H18N2O.C2H2O4/c1-16-6-7-18-15-11-4-3-5-12-14(11)10(8-13(15)16)9-17(12)2;3-1(4)2(5)6/h3-5,9,13,15H,6-8H2,1-2H3;(H,3,4)(H,5,6)/t13-,15-;/m1./s1
• InChIKey: IGIAVJGMILVZGM-SWYZXDRTSA-N

Properties

• Boiling point: 420.4°C at 760 mmHg (Cal.)
• Flash point: 208.1°C (Cal.)