Analyte Name

Phenylselenyl Dutasteride alpha-Dimer

Molecular Formula

C52 H61 F6 N3 O4 Se

Molecular Weight

985.009

Accurate Mass

985.373

SMILES

C[C@]12CCC3[C@@H](CC[C@H]4N(C(=O)[C@@H]5CCC6[C@@H]7CC[C@H]8NC(=O)C=C[C@]8(C)C7CC[C@]56C)C(=O)C(C[C@]34C)[Se]c9ccccc9)C1CC[C@@H]2C(=O)Nc%10cc(ccc%10C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C52H61F6N3O4Se/c1-47-23-21-35-31(32(47)14-16-37(47)44(63)59-39-26-28(51(53,54)55)10-13-36(39)52(56,57)58)12-19-42-50(35,4)27-40(66-29-8-6-5-7-9-29)46(65)61(42)45(64)38-17-15-33-30-11-18-41-49(3,25-22-43(62)60-41)34(30)20-24-48(33,38)2/h5-10,13,22,25-26,30-35,37-38,40-42H,11-12,14-21,23-24,27H2,1-4H3,(H,59,63)(H,60,62)/t30-,31-,32?,33?,34?,35?,37+,38-,40?,41+,42+,47-,48-,49+,50+/m0/s1

IUPAC

(1S,3bS,5aR,9aR,11aS)-6-[(1R,3bS,5aR,9aR,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carbonyl]-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-8-phenylselanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat