Molecular Formula: C45H62Br2N8O2
Molecular weight: 906.83418
InChi: InChI=1S/C45H62Br2N8O2/c1-7-52(8-2)43(56)48-31-19-35-33-13-11-15-37-41(33)29(17-39(35)50(5)23-31)21-54(37)27-45(25-46,26-47)28-55-22-30-18-40-36(34-14-12-16-38(55)42(30)34)20-32(24-51(40)6)49-44(57)53(9-3)10-4/h11-16,21-22,31-32,35-36,39-40H,7-10,17-20,23-28H2,1-6H3,(H,48,56)(H,49,57)/t31-,32-,35+,36+,39+,40+/m0/s1
InChi Key: JAFTZCSIYIBOHL-OYLPTLDHSA-N
SMILES: c12c3[C@@H]4[C@@H](Cc1cn(c2ccc3)CC(Cn1c2c3c(c1)C[C@@H]1[C@@H](c3ccc2)C[C@@H](CN1C)NC(=O)N(CC)CC)(CBr)CBr)N(C[C@H](C4)NC(=O)N(CC)CC)C
Chemical Name
1,3-dibromo-2,2-di(6-methyl-8α-(diethylcarbamoylamino)ergoline-1-ylmethyl)propane
1,3-dibromo-2,2-di(6-methyl-8α-(diethylcarbamoylamino)ergoline-1-ylmethyl)propane