| CAS Number | 140375-22-0 |
| Catalog Number | AG009F5Y(AGN-PC-0PPINN) |
| Chemical Name | 5b-Finasteride |
| IUPAC Name | (1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide |
| InChI | InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18-,22-,23+/m0/s1 |
| InChI Key | DBEPLOCGEIEOCV-VLDRPNAOSA-N |
| MDL Number | MFCD31562848 |
| Molecular Formula | C23H36N2O2 |
| Molecular Weight | 372.5441 |
| SMILES | CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |
| Synonyms | 140375-22-0,
5beta-Finasteride,
5|A-Finasteride,
SCHEMBL6448111,
N-tert-Butyl-3-oxo-4-aza-5beta-androsta-1-ene-17beta-carboxamide,
finasteride,
5--finasteride,
98319-26-7,
|
| Complexity | 678 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.278g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.553g/mol |
| Monoisotopic Mass | 372.278g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number