AG008SDG

10457-90-6 | 4-(4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

AG008SDG

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CAS Number	10457-90-6
Catalog Number	AG008SDG(AGN-PC-0OTJXQ)
Chemical Name	4-(4-(4-Bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
EC Number	233-943-3
IUPAC Name	4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
InChI	InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChI Key	RKLNONIVDFXQRX-UHFFFAOYSA-N
MDL Number	MFCD00866670
Molecular Formula	C21H23BrFNO2
Molecular Weight	420.3152
NSC Number	759275
SMILES	O=C(C1=CC=C(F)C=C1)CCCN2CCC(O)(C3=CC=C(Br)C=C3)CC2
UNII	LYH6F7I22E
Synonyms	bromoperidol, bromperidol, bromperidol hydrochloride, bromperidol, 82Br-labeled, C-C 2489-21, Impromen, R 11,333, Tesoprel, bromperidol, 10457-90-6, Impromen, Bromoperidol, Tesoprel, Azurene, UNII-LYH6F7I22E, Bromperidolum [INN-Latin], 4-(4-(4-bromophenyl)-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, R 11333, EINECS 233-943-3, 4-(4-(4-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone, CC 2489, BRN 1552256, LYH6F7I22E, 4-(4-(p-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone, RKLNONIVDFXQRX-UHFFFAOYSA-N, 4-(4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone, NCGC00016692-01, 4-(4-(p-Bromophenyl)-4-hydroxypiperidinol)-4'-fluorobutyrophenone, CAS-10457-90-6, DSSTox_CID_2690, 4-[4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone, 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, BUTYROPHENONE, 4-(4-(p-BROMOPHENYL)-4-HYDROXYPIPERIDINO)-4'-FLUORO-, 1-Butanone, 4-(4-(4-bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-, DSSTox_RID_76693, DSSTox_GSID_22690, Bromperidolum, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one, 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-, 4-[4-(p-Bromophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone;4-[4-(p-Bromophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone, SR-05000001811, C21H23BrFNO2, 4-[4-(p-bromophenyl)-4-hydroxypiperidino]-4'-fluorobutyrophenone, Impromen (TN), Bromperidol [USAN:BAN:INN:JAN], Bromperidol [USAN:INN:BAN:JAN], Prestwick_781, PubChem18557, Prestwick0_000509, Prestwick1_000509, Prestwick2_000509, Prestwick3_000509, AC1L1DP8, SCHEMBL43755, BSPBio_000437, 5-21-02-00382 (Beilstein Handbook Reference), MLS002153852, CHEMBL28218, R 11,333, SPBio_002358, Bromperidol (JAN/USAN/INN), Azurene|||Tesoprel|||Impromen, BPBio1_000481, DTXSID0022690, BDBM81484, CHEBI:31305, CTK7B9730, HMS1569F19, HMS2093J06, HMS2096F19, HMS2230O05, HMS3370C12, HMS3713F19, Pharmakon1600-01505972, ZINC601270, CAS_2448, HY-B0901, NSC_2448, Tox21_110565, NSC759275, PDSP1_001125, PDSP2_001109, AKOS015914052, Tox21_110565_1, API0001769, CCG-213579, DB12401, NSC-759275, NCGC00016692-02, NCGC00016692-05, NCGC00179558-01, AJ-23670, BC004382, CC-25252, LS-48293, SMR001233211, SBI-0206864.P001, AX8118878, FT-0630383, D01101, C-22059, L000662, R-11333, J-001195, SR-05000001811-1, SR-05000001811-3, BRD-K78643075-001-03-3, BRD-K78643075-001-06-6, I14-44656, Bromperidol, European Pharmacopoeia (EP) Reference Standard, 4-[4-(p-Bromophenyl)-4-hydroxypiperidino]-4'-fluoro-butyrophenone, 1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-, 4-[4-(4-Bromo-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one, bromperidol HCl, bromperidol hydrochloride, bromperidol, 82Br-labeled, D00SHQ, CID2448, C21-H23-Br-F-N-O2, CS-4366, C-C 2489-21, C006820, Butyrophenone, 4-[4-(p-bromophenyl)-4-hydroxypiperidino]-4'-fluoro-, 14146-26-0,

Complexity	451
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	419.09g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	420.322g/mol
Monoisotopic Mass	419.09g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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