Dataset

Bicalutamide; LC-ESI-QTOF; MS2; 150 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095991 contains the MS2 mass spectrum of Bicalutamide with the InChIkey LKJPYSCBVHEWIU-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
SMILES	CC(O)(C[S](=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F
InChI Key	LKJPYSCBVHEWIU-UHFFFAOYSA-N
Molecular Formula	C18H14F4N2O4S
Exact Mass	430.061 g/mol

Data and Resources

BicalutamideHTML

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Related Molecule ⌄

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095991
Version
Author
Maintainer
Language
MetadataPublished	2023-11-09
Related Molecule	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01128	drugbank
CHEBI:144093	chebi
CHEMBL409	chembl
29353850	surechembl
3611	surechembl
2375	pubchem
A0Z3NAU9DP	fdasrs
2863	gtopdb
PD000730	probes_and_drugs
HMDB0015260	hmdb
DTXSID2022678	comptox
NCT00002633	clinicaltrials
NCT00002651	clinicaltrials
NCT00002855	clinicaltrials
NCT00002874	clinicaltrials
NCT00003026	clinicaltrials
NCT00003517	clinicaltrials
NCT00003653	clinicaltrials
NCT00003915	clinicaltrials
NCT00004054	clinicaltrials
NCT00004124	clinicaltrials
NCT00005044	clinicaltrials
NCT00012090	clinicaltrials
NCT00014586	clinicaltrials
NCT00021450	clinicaltrials
NCT00023829	clinicaltrials
NCT00026377	clinicaltrials
NCT00028769	clinicaltrials
NCT00030654	clinicaltrials
NCT00031889	clinicaltrials
NCT00055731	clinicaltrials
NCT00067015	clinicaltrials
NCT00075192	clinicaltrials
NCT00075192	clinicaltrials
NCT00086736	clinicaltrials
NCT00094328	clinicaltrials
NCT00099086	clinicaltrials
NCT00108732	clinicaltrials
NCT00165399	clinicaltrials
NCT00170157	clinicaltrials
NCT00223171	clinicaltrials
NCT00233610	clinicaltrials
NCT00243646	clinicaltrials
NCT00244920	clinicaltrials
NCT00255268	clinicaltrials
NCT00293696	clinicaltrials
NCT00298155	clinicaltrials
NCT00328614	clinicaltrials
NCT00348998	clinicaltrials
NCT00349557	clinicaltrials
NCT00388804	clinicaltrials
NCT00418080	clinicaltrials
NCT00421694	clinicaltrials
NCT00468715	clinicaltrials
NCT00470834	clinicaltrials
NCT00482807	clinicaltrials
NCT00486642	clinicaltrials
NCT00512668	clinicaltrials
NCT00514917	clinicaltrials
NCT00521781	clinicaltrials
NCT00528866	clinicaltrials
NCT00541047	clinicaltrials
NCT00544830	clinicaltrials
NCT00554086	clinicaltrials
NCT00586898	clinicaltrials
NCT00589472	clinicaltrials
NCT00590213	clinicaltrials
NCT00630344	clinicaltrials
NCT00631527	clinicaltrials
NCT00637871	clinicaltrials
NCT00651326	clinicaltrials
NCT00657904	clinicaltrials
NCT00658697	clinicaltrials
NCT00659438	clinicaltrials
NCT00666666	clinicaltrials
NCT00669162	clinicaltrials
NCT00672282	clinicaltrials
NCT00673205	clinicaltrials
NCT00684905	clinicaltrials
NCT00685633	clinicaltrials
NCT00702923	clinicaltrials
NCT00757692	clinicaltrials
NCT00769795	clinicaltrials
NCT00771017	clinicaltrials
NCT00776594	clinicaltrials
NCT00814788	clinicaltrials
NCT00831233	clinicaltrials
NCT00833248	clinicaltrials
NCT00841113	clinicaltrials
NCT00846976	clinicaltrials
NCT00866554	clinicaltrials
NCT00866554	clinicaltrials
NCT00878436	clinicaltrials
NCT00884273	clinicaltrials
NCT00924807	clinicaltrials
NCT00936390	clinicaltrials
NCT00943956	clinicaltrials
NCT00959335	clinicaltrials
NCT00960310	clinicaltrials
NCT00972855	clinicaltrials
NCT00973050	clinicaltrials
NCT01020305	clinicaltrials
NCT01039233	clinicaltrials
NCT01044706	clinicaltrials
NCT01050842	clinicaltrials
NCT01120236	clinicaltrials
NCT01200810	clinicaltrials
NCT01250717	clinicaltrials
NCT01251861	clinicaltrials
NCT01288911	clinicaltrials
NCT01313273	clinicaltrials
NCT01415778	clinicaltrials
NCT01415791	clinicaltrials
NCT01416870	clinicaltrials
NCT01416883	clinicaltrials
NCT01420250	clinicaltrials
NCT01642732	clinicaltrials
NCT01658527	clinicaltrials
NCT01664923	clinicaltrials
NCT01674270	clinicaltrials
NCT01786265	clinicaltrials
NCT01809691	clinicaltrials
NCT01969578	clinicaltrials
NCT02058706	clinicaltrials
NCT02059213	clinicaltrials
NCT02064036	clinicaltrials
NCT02085252	clinicaltrials
NCT02146937	clinicaltrials
NCT02299999	clinicaltrials
NCT02346253	clinicaltrials
NCT02348281	clinicaltrials
NCT02353988	clinicaltrials
NCT02382094	clinicaltrials
NCT02458716	clinicaltrials
NCT02487823	clinicaltrials
NCT02531516	clinicaltrials
NCT02582749	clinicaltrials
NCT02605486	clinicaltrials
NCT02614859	clinicaltrials
NCT02678520	clinicaltrials
NCT02697032	clinicaltrials
NCT02716974	clinicaltrials
NCT02742675	clinicaltrials
NCT02910050	clinicaltrials
NCT03043807	clinicaltrials
NCT03055312	clinicaltrials
NCT03070886	clinicaltrials
NCT03090165	clinicaltrials
NCT03119857	clinicaltrials
NCT03141671	clinicaltrials
NCT03147196	clinicaltrials
NCT03358563	clinicaltrials
NCT03458221	clinicaltrials
NCT03520478	clinicaltrials
NCT03541928	clinicaltrials
NCT03587285	clinicaltrials
NCT03650894	clinicaltrials
NCT03678025	clinicaltrials
NCT03809000	clinicaltrials
NCT03878524	clinicaltrials
NCT04025372	clinicaltrials
NCT04248621	clinicaltrials
NCT04284761	clinicaltrials
NCT04374279	clinicaltrials
NCT04509999	clinicaltrials
NCT04513717	clinicaltrials
NCT04652765	clinicaltrials
NCT04734730	clinicaltrials
NCT04787744	clinicaltrials
NCT04943536	clinicaltrials
NCT05019846	clinicaltrials
NCT05050084	clinicaltrials
NCT05095207	clinicaltrials
NCT05327647	clinicaltrials
NCT05513365	clinicaltrials
NCT05979389	clinicaltrials
NCT06018116	clinicaltrials
NCT06365788	clinicaltrials
Molport-003-845-034	molport
367	drugcentral
18525	bindingdb
The data in this table is sourced from UniChem at EBI.