Analyte Name

Dutasteride beta-dimer

CAS Number

1648593-70-7

Molecular Formula

C46 H55 F6 N3 O4

Molecular Weight

827.94

Accurate Mass

827.4097

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4N(C(=O)[C@H]5CC[C@H]6[C@@H]7CC[C@H]8NC(=O)C=C[C@]8(C)[C@H]7CC[C@]56C)C(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc9cc(ccc9C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C46H55F6N3O4/c1-41-19-16-30-26(27(41)9-11-32(41)39(58)53-34-23-24(45(47,48)49)5-8-31(34)46(50,51)52)7-14-36-44(30,4)22-18-38(57)55(36)40(59)33-12-10-28-25-6-13-35-43(3,21-17-37(56)54-35)29(25)15-20-42(28,33)2/h5,8,17-18,21-23,25-30,32-33,35-36H,6-7,9-16,19-20H2,1-4H3,(H,53,58)(H,54,56)/t25-,26-,27-,28-,29-,30-,32+,33+,35+,36+,41-,42-,43+,44+/m0/s1

IUPAC

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6-[(1S,3aS,3bS,5aR,9aR,9bS,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-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dutasteride