| SpectraBase Compound ID | 3J1uEBsdtJB |
|---|---|
| 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 |
| InChIKey | DBEPLOCGEIEOCV-BKTGVWISSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C23H36N2O2 |
| Exact Mass | 372.277678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GUXEnj5IZns |
|---|---|
| Name | Finasteride |
| CAS Registry Number | 98319-26-7 |
| Classification | Pharmaceutical drug, steroid-5a-reductase inhibitor |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 372.277678405 u |
| Formula | C23H36N2O2 |
| 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 |
| InChIKey | DBEPLOCGEIEOCV-BKTGVWISSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 372.553 g/mol |
| Nominal Mass | 372 u |
| Retention Index | 2927 |
| SMILES | [C@]12([C@@]3([C@](C4[C@@]([C@@](C(NC(C)(C)C)=O)(CC4)[H])(CC3)C)(CC[C@]1(NC(C=C2)=O)[H])[H])[H])C |
| SPLASH | splash10-05fr-5934000000-fb37da59c78e767d2d48 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | N-tert-Butyl-3-oxo-4-aza-5a-androst-1-en-17b-carbamide |
| Technique | GC/MS |
| Wiley ID | DD2024_034948 |