9,10-Didehydro-1,6-Dimethyl-N-Ethylergoline-8beta-Carboxamide
[CAS# 7240-57-5]

Identification

• Name: 9,10-Didehydro-1,6-Dimethyl-N-Ethylergoline-8beta-Carboxamide
• Molecular Formula: C₅₄H₇₃CoN₆O₁₄
• Molecular Weight: 1089.14
• CAS Registry Number: 7240-57-5
• SMILES: [Co]|2|3|4(C#N)(C#N)|N1=C5C(C(C1(C8[N]|2C(=C(C7=N|3C(=CC6=N|4C(=C5C)C(C6CCC(OC)=O)(CC(OC)=O)C)C(C7CCC(OC)=O)(C)C)C)C(C8CC(OC)=O)(CCC(OC)=O)C)C)(CC(OC)=O)C)CCC(OC)=O
• InChI: 1S/C52H73N4O14.2CN.Co/c1-28-43-31(17-20-37(58)65-10)48(3,4)35(54-43)25-34-30(16-19-36(57)64-9)50(6,26-41(62)69-14)46(53-34)29(2)44-32(18-21-38(59)66-11)51(7,27-42(63)70-15)52(8,56-44)47-33(24-40(61)68-13)49(5,45(28)55-47)23-22-39(60)67-12;2*1-2;/h25,30-33,47H,16-24,26-27H2,1-15H3
• InChIKey: KLRVZQXQHYBSOH-UHFFFAOYSA-N