1.0 2016-05-22 05:45:07 UTC 2026-08-22 07:27:30 UTC Dutasteride SmallMolecule Dutasteride belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 528.53 g/mol, Dutasteride is a heavy molecule. Its chemical formula is C27H30F6N2O2. This compound is found in healthcare, pharmaceuticals, and veterinary products, where it is used as a drug for benign prostatic hypertrophy. It is administered via oral or topical exposure routes. Dutasteride acts as an inhibitor of three protein targets: 3-oxo-5-alpha-steroid 4-dehydrogenase 1 (SRD5A1), 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (SRD5A2), and Polyprenal reductase (SRD5A3). C27H30F6N2O2 528.5297 528.221147444 (1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-3-ene-14-carboxamide dutasteride 164656-23-9 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1 JWJOTENAMICLJG-QWBYCMEYSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Androgens and derivatives 3-oxo-4-azasteroids 3-oxo-5-alpha-steroids 4-azasteroids and derivatives Alkyl fluorides Anilides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Lactams N-arylamides Organic oxides Organofluorides Organopnictogen compounds Secondary carboxylic acid amides Trifluoromethylbenzenes 3-oxo-4-azasteroid 3-oxo-5-alpha-steroid 3-oxosteroid 4-azasteroid Alkyl fluoride Alkyl halide Androgen-skeleton Anilide Aromatic heteropolycyclic compound Azacycle Azasteroid Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Lactam Monocyclic benzene moiety N-arylamide Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxosteroid Secondary carboxylic acid amide Trifluoromethylbenzene Aromatic heteropolycyclic compounds (trifluoromethyl)benzenes aza-steroid delta-lactam Detected and Not Quantified Dutasteride Action Pathway SMP0126518 Dutasteride Drug Metabolism Action Pathway SMP0143547 logp 5.79 logp 5.45 ALOGPS logs -5.77 ALOGPS solubility 9.08e-04 g/l ALOGPS logp 5.79 ChemAxon pka_strongest_acidic 12.56 ChemAxon pka_strongest_basic 2.17 ChemAxon iupac (1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-3-ene-14-carboxamide ChemAxon average_mass 528.5297 ChemAxon mono_mass 528.221147444 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F ChemAxon formula C27H30F6N2O2 ChemAxon inchi InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1 ChemAxon inchikey JWJOTENAMICLJG-QWBYCMEYSA-N ChemAxon polar_surface_area 58.2 ChemAxon refractivity 127.9 ChemAxon polarizability 50.13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7276806548> DB01126 152945 134801 BE0000539 BE0000585 BE0004887