AG00IDBX

83846-83-7 | 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1H,3H]-quinazolinedione tartrate

AG00IDBX

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CAS Number	83846-83-7
Catalog Number	AG00IDBX(AGN-PC-0UPMXP)
Chemical Name	3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1H,3H]-quinazolinedione tartrate
EC Number	281-062-8
IUPAC Name	(2R,3R)-2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
InChI	InChI=1S/C22H22FN3O3.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChI Key	KMTLTEVOQLMYRS-LREBCSMRSA-N
MDL Number	MFCD11864992
Molecular Formula	C26H28FN3O9
Molecular Weight	545.5136
SMILES	O=C(N1CCN2CCC(C(C4=CC=C(F)C=C4)=O)CC2)NC3=C(C=CC=C3)C1=O.O=C(O)[C@H](O)[C@@H](O)C(O)=O
UNII	645498QK7H
Synonyms	Ketanserin tartrate, 83846-83-7, Ketanserin (+)-tartrate salt, Ketanserin (tartrate), UNII-645498QK7H, R 41468 (+)-tartrate salt, 645498QK7H, KJK-945, EINECS 281-062-8, R 49945, 3-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-2,4(1H,3H)-quinazolinedione (+)-tartrate salt, 3-(2-(4-(p-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione L-tartrate, R-41-468, Sufrexal (TN), 2,4(1H,3H)-Quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1), 3-(2-(4-(4-Fluorobenzoyl)piperidino)ethyl)quinazoline-2,4(1H,3H)-dione (R-(R*,R*))-tartrate, Prestwick3_000392, Ketanserin Hydrogen Tartrate, BSPBio_000603, BPBio1_000665, SCHEMBL4142325, C26H28FN3O9, HY-10562A, MFCD00084651, MFCD11864992, AKOS025312550, AC-1264, API0006467, CCG-213394, CS-6081, AS-14106, BC678479, V1493, D08099, Ketanserin (+)-tartrate salt, >=97%, solid, (2R,3R)-2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione, Ketanserin tartrate salt, C22H22FN3O3.C4H6O6, Ketanserin tartrate, 99% - 10MG 10mg, C22-H22-F-N3-O3.C4-H6-O6, 3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]quinazoline-2,4(1H,3H)-dione [R-(R*,R*)]-tartrate,

Complexity	761
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	545.181g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	545.52g/mol
Monoisotopic Mass	545.181g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	185A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number