2-Iodo-3-Oxo-4-aza-5α-androst-17β-carboxylic Acid

CAS: 140700-63-6

Ref. TR-I716520

Product Information

• Name: 2-Iodo-3-Oxo-4-aza-5α-androst-17β-carboxylic Acid
• Synonyms: 2-Iodo-3-Oxo-4-aza-5alpha-androst-17beta-carboxylic Acid, 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-3-iodo-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-, 4-Azaandrostane-17-carboxylic acid, 2-iodo-3-oxo-, (5α,17β)-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-3-iodo-4a,6a-dimethyl-2-oxo-
• Brand: TRC
• Description: Applications 2-Iodo-3-Oxo-4-aza-5α-androst-17β-carboxylic Acid is a reactant in the synthesis of Duasteride (D735000), 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),

Chemical properties

• Molecular weight: 445.335
• Formula: C₁₉H₂₈INO₃
• Color/Form: Neat
• InChI: InChI=1S/C19H28INO3/c1-18-8-7-12-10(11(18)4-5-13(18)17(23)24)3-6-15-19(12,2)9-14(20)16(22)21-15/h10-15H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13+,14?,15+,18-,19+/m0/s1
• InChI key: InChIKey=HNVXYVGSQMAWPL-RYKWCHAPSA-N
• SMILES: C[C@]12CC[C@H]3[C@@H](CCC4NC(=O)C(I)C[C@@]43C)[C@@H]1CCC2C(=O)O