Nombre del analito

(Desmethyl-indole) Nicergoline N-Dimer

Fórmula molecular

C46H46Br2N6O6

Peso molecular

938.72

Masa exacta

936.18

SMILES

CO[C@@]12[C@](CC3=C(N4C5=CC=CC([C@]6(OC)[C@](C7)([H])N(C)C[C@H](COC(C8=CC(Br)=CN=C8)=O)C6)=C5C7=C4)NC9=CC=CC2=C39)([H])N(C)C[C@H](COC(C%10=CN=CC(Br)=C%10)=O)C1

InChI

InChI=1S/C46H46Br2N6O6/c1-52-21-26(24-59-43(55)28-11-31(47)19-49-17-28)15-45(57-3)34-8-6-10-37-40(34)30(13-38(45)52)23-54(37)42-33-14-39-46(58-4,35-7-5-9-36(51-42)41(33)35)16-27(22-53(39)2)25-60-44(56)29-12-32(48)20-50-18-29/h5-12,17-20,23,26-27,38-39,51H,13-16,21-22,24-25H2,1-4H3/t26-,27-,38-,39-,45+,46+/m1/s1

IUPAC

((6aR,6'aR,9R,9'R,10aS,10'aS)-10a,10'a-Dimethoxy-7,7'-dimethyl-4',6a,6',6'a,7,7',8,8',9,9',10,10a,10',10'a-tetradecahydro-6H-[4,5'-biindolo[4,3-fg]quinoline]-9,9'-diyl)bis(methylene) bis(5-bromonicotinate)

País de origen

CANADA

Formato del producto

Neat