| SpectraBase Spectrum ID |
GYQq5PBv5KC |
| Name |
Bicalutamide |
| CAS Registry Number |
90357-06-5 |
| Classification |
Pharmaceutical drug, antiandrogene |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
430.061040761 u |
| Formula |
C18H14F4N2O4S |
| InChI |
InChI=1S/C18H14F4N2O4S/c19-12-2-5-14(6-3-12)29(27,28)8-7-16(25)17(26)24-13-4-1-11(10-23)15(9-13)18(20,21)22/h1-6,9,16,25H,7-8H2,(H,24,26) |
| InChIKey |
IZFDDNXPUQZCFJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
430.374 g/mol |
| Nominal Mass |
430 u |
| Quality |
940 |
| SMILES |
OC(C(NC1=CC(=C(C=C1)C#N)C(F)(F)F)=O)CCS(C=1C=CC(=CC1)F)(=O)=O |
| SPLASH |
splash10-066r-3940000000-56e1fb89c0c34c364901 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-\rpropanamide |
| Technique |
DI/MS |
| Wiley ID |
DD2024_006341 |
