Dutasteride a-Dimer (~90%)

Analyte Name

Dutasteride alpha-Dimer

Molecular Formula

C46H55F6N3O4

Molecular Weight

827.94

Accurate Mass

827.41

SMILES

[H][C@@]12CC[C@@]3([H])N(C([C@@H]4CCC5[C@]6([H])CC[C@@]7([H])NC(C=C[C@]7(C)C6CC[C@@]54C)=O)=O)C(C=C[C@]3(C)C1CC[C@@]8(C)C2CC[C@@H]8C(NC9=CC(C(F)(F)F)=CC=C9C(F)(F)F)=O)=O

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

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

Alternate CAS Number

β-Dimer: 1648593-70-7; 2983460-99-5; 2933235-76-6; 2749281-99-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dutasteride