Dutasteride Beta-Dimer

CAS: 1648593-70-7

Ref. TR-D735020

Product Information

• Name: Dutasteride Beta-Dimer
• Synonyms: 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1-[[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl]carbonyl]-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-, N-[2,5-Bis(trifluoromethyl))phenyl]-3-oxo-4-[3-oxo-4-aza-5α-androst-1-ene-17β-carbonyl]-4-aza-5α-androst-1-ene-17β-carboxamide, Dutasteride Dimer 1, Dutasteride Imp. I (EP), Dutasteride β-Dimer
• CAS: 1648593-70-7

Description

Applications Dutasteride β-Dimer is a dimer impurity of Dutasteride (D735000); a dual inhibitor of 5α-reductase isoenzymes type 1 and 2. Dutasteride is structurally related to Finasteride (F342000) and is used in the treatment of benign prostatic hyperplasia.
References Bakshi, R.K., et al.: J. Med. Chem., 38, 3189 (1995); Gisleskog, P.O., et al.: Brit. J. Clin. Pharmacol., 47, 53 (1999); Djavan, B., et al.: Expert Opin. Pharmacother., 6, 311 (2005)

• Brand: TRC

Chemical properties

• Molecular weight: 827.94
• Formula: C₄₆H₅₅F₆N₃O₄
• Color/Form: White to Light Yellow Solid
• 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
• InChI key: InChIKey=VHEQRKYIOQGSHW-AEBZRXJLSA-N
• SMILES: C[C@]12CCC3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)N1C(=O)C=C[C@]2(C)C3CC[C@@]4(C)C(CC[C@H]4C(=O)Nc4cc(C(F)(F)F)ccc4C(F)(F)F)[C@@H]3CC[C@@H]12