(17b)-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-androst-4-ene-17-carboxamide

CAS: 164656-19-3

Ref. TR-B657195

Product Information

• Name: (17b)-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-androst-4-ene-17-carboxamide
• Synonyms: Androst-4-ene-17-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-, (17β)-, (8S,9S,10R,13S,14S,17S)-N-[2,5-Bis(trifluoromethyl)phenyl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
• Brand: TRC

Description

Applications (17β)-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-androst-4-ene-17-carboxamide is an intermediate in the synthesis of Dutasteride (D735000), a dual inhibitor of 5α-reductase isoenzymes type 1 and 2; structurally related to Finasteride (F342000).

Chemical properties

• Molecular weight: 527.54
• Formula: C₂₈H₃₁F₆NO₂
• Color/Form: Neat
• InChI: InChI=1S/C28H31F6NO2/c1-25-11-9-17(36)13-15(25)3-5-18-19-7-8-22(26(19,2)12-10-20(18)25)24(37)35-23-14-16(27(29,30)31)4-6-21(23)28(32,33)34/h4,6,13-14,18-20,22H,3,5,7-12H2,1-2H3,(H,35,37)/t18-,19-,20-,22+,25-,26-/m0/s1
• InChI key: InChIKey=FKERXIWUYAOAFY-YICXHFHNSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F