AG0059SA

74050-98-9 | 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

AG0059SA

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CAS Number	74050-98-9
Catalog Number	AG0059SA(AGN-PC-0U4BLK)
Chemical Name	3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
IUPAC Name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
InChI	InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
InChI Key	FPCCSQOGAWCVBH-UHFFFAOYSA-N
MDL Number	MFCD00083392
Molecular Formula	C22H22FN3O3
Molecular Weight	395.4268
NSC Number	758959
SMILES	FC1=CC=C(C(=O)C2CCN(CC2)CCN2C(NC3=CC=CC=C3C2=O)=O)C=C1
UNII	97F9DE4CT4
Synonyms	3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H,3H)-quinazolinedione, Ketanserin, R 41,468, R 41468, R-41,468, R-41468, R41,468, R41468, Ketanserin, 74050-98-9, Ketanserin tartrate, Ketanserinum, Ketaserin, Ketanserina, Ketanserine, Ketanserine [INN-French], Ketanserinum [INN-Latin], 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)quinazoline-2,4(1H,3H)-dione, Ketanserina [INN-Spanish], Vulketan Gel, R-41468, UNII-97F9DE4CT4, R 41468, [3H]-Ketanserin, R 41,468, R-41,468, C22H22FN3O3, CHEMBL51, EINECS 277-680-2, 97F9DE4CT4, CHEBI:6123, FPCCSQOGAWCVBH-UHFFFAOYSA-N, 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione, [3H]ketanserin, 3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H,3H)-quinazolinedione, 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,4-(1H,3H)-quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione, NCGC00021146-06, DSSTox_CID_3188, 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1H,3H)-dione, 2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-, DSSTox_RID_76913, DSSTox_GSID_23188, W-104435, Perketal, Serefrex, Sufrexal, Taseron, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione, 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-quinazolinedione, 2,4(1H,3H)-Quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-, 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)-ethyl)quinazoline-2,4(1H,3H)-dione, Ketanserin [USAN:BAN:INN], CAS-74050-98-9, 83846-83-7, Ketanserin (USAN/INN), Kentanserin, Ketanserin [USAN:INN:BAN], R-41-468, 3-[2-[4-(p-Fluorobenzoyl)piperidino]ethyl]-2,4-(1H,3H)-quinazolinedione, 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1H-quinazoline-2,4-dione, Ketanserin-Vulketan-Gel, Tocris-0908, AC1L1GSK, Spectrum2_001713, Ketanserin (Vulketan Gel), Biomol-NT_000096, GTPL88, R 41468;Vulketan Gel, R41,468, SCHEMBL34294, GTPL197, MLS006010073, SPECTRUM1505346, SPBio_001726, BPBio1_001356, DTXSID3023188, BDBM21395, CTK8G0431, KS-00000XLH, AOB5639, HMS1923O11, HMS2090H18, HMS2094I03, HMS3655H14, Pharmakon1600-01505346, ZINC537877, Tox21_110865, CCG-39512, MFCD00083392, NSC758959, PDSP1_000639, PDSP2_000634, s2232, AKOS015895130, Tox21_110865_1, AC-2024, AN-5822, API0003079, CS-6055, DB12465, GS-3601, NSC-758959, RL04800, (+)-3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione, 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)quinazoline-2,4(1H,3H)-dione, NCGC00021146-01, NCGC00021146-02, NCGC00021146-03, NCGC00021146-04, NCGC00021146-05, NCGC00021146-07, NCGC00021146-08, NCGC00021146-09, NCGC00021146-12, NCGC00024865-01, NCGC00024865-02, NCGC00024865-03, NCGC00024865-04, NCGC00024865-05, AJ-23373, BC202701, CC-29757, HY-10562, K261, SC-17248, SMR001550601, SBI-0051158.P003, AB0014126, AB2000544, AX8034794, LS-140148, FT-0630827, FT-0653664, K0051, SW196882-3, C07464, D02363, 050K989, 191037-EP2275420A1, 191037-EP2280008A2, A838000, C-21630, L000764, R41 468, I06-0365, BRD-K49671696-001-02-1, BRD-K49671696-347-02-8, F2173-1039, KETANSERIN, Ketanserin tartrate hydrate, KETANSERIN TARTRATE, 2,4(1H,3H)-Quinazolinedione,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-, 3-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione #, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]-ethyl]-2,4-[1H, 3H]-quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4-(1H,3H)-quinazolinedione, 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione, 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1H-quinazoline-2,4-dione, 3-{2-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-ethyl}-1h-quinazoline-2,4-dione, 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione, 3-(2-{4-[(4-fluorophenyl)carbonyl]piperidin-1-yl}ethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione, ketensin, suffrexal, Ketanserin tartrate hydrate, D08VRO, CHEMBL1628637, UNII-645498QK7H, CID3822, KJK-945, C22H22FN3O3.C4H6O6, EINECS 281-062-8, C22-H22-F-N3-O3, B2248, C22-H22-F-N3-O3.C4-H6-O6, A10497, R41468, D007650, R 49945, R 41 468, 3-(2-(4-(p-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione L-tartrate, 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1H,3H]-quinazolinedione, 3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]quinazoline-2,4(1H,3H)-dione [R-(R*,R*)]-tartrate,

Complexity	627
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	395.165g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	395.434g/mol
Monoisotopic Mass	395.165g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number