2,5-Bis(Trifluoromethyl)nitrobenzene-13C6

CAS: 320-88-7

Ref. TR-B591784

Product Information

• Name: 2,5-Bis(Trifluoromethyl)nitrobenzene-13C6
• Synonyms: 2-nitro-1,4-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene, 2-Nitro-1,4-bis(trifluoromethyl)benzene

Description

Applications 2,5-Bis(Trifluoromethyl)nitrobenzene-13C6 is an intermediate in the synthesis of Dutasteride-13C6 (D735002), which is a labeled Dutasteride (D735000). Dutasteride is a dual inhibitor of 5α-reductase isoenzymes type 1 and 2; structurally related to Finasteride (F342000). Dutasteride 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: 265.061
• Formula: C₆C₂H₃F₆NO₂
• Color/Form: Neat
• InChI: InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)15(16)17/h1-3H/i1+1,2+1,3+1,4+1,5+1,6+1
• SMILES: O=[N+]([O-])[13c]1[13cH][13c](C(F)(F)F)[13cH][13cH][13c]1C(F)(F)F