(3S,3aS,5aS,6R,9aS,9bS)-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid

CAS: 164656-20-6

Ref. TR-B657190

Product Information

• Name: (3S,3aS,5aS,6R,9aS,9bS)-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid
• Synonyms: [3S-(3alpha,3aalpha,5abeta,6beta,9aalpha,9bbeta)]-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid

Description

Applications (3S,3aS,5aS,6R,9aS,9bS)-3-[[[2,5-Bis(trifluoromethyl)phenyl]amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid 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).

• Brand: TRC

Chemical properties

• Molecular weight: 547.53
• Formula: C₂₇H₃₁F₆NO₄
• Color/Form: Yellow Solid
• InChI: InChI=1S/C27H31F6NO4/c1-24-11-9-17-15(4-8-21(35)25(17,2)12-10-22(36)37)16(24)6-7-19(24)23(38)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,13,15-17,19H,4,6-12H2,1-2H3,(H,34,38)(H,36,37)/t15-,16-,17-,19+,24-,25+/m0/s1
• InChI key: InChIKey=MBYIOMUJPQFEQG-ULLAOQFFSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F