AG00IAXJ

61869-08-7 | Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)-

AG00IAXJ

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CAS Number	61869-08-7
Catalog Number	AG00IAXJ(AGN-PC-0T1YZN)
Chemical Name	Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)-
EC Number	600-962-7
IUPAC Name	(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
InChI	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
InChI Key	AHOUBRCZNHFOSL-YOEHRIQHSA-N
MDL Number	MFCD00869588
Molecular Formula	C19H20FNO3
Molecular Weight	329.3654
SMILES	FC1=CC=C([C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2)C=C1
UNII	41VRH5220H
Synonyms	Aropax, BRL 29060, BRL-29060, BRL29060, FG 7051, FG-7051, FG7051, Paroxetine, Paroxetine Acetate, Paroxetine Hydrochloride, Paroxetine Hydrochloride Anhydrous, Paroxetine Hydrochloride Hemihydrate, Paroxetine Hydrochloride, Hemihydrate, Paroxetine Maleate, Paroxetine, cis-(+)-Isomer, Paroxetine, cis-(-)-Isomer, Paroxetine, trans-(+)-Isomer, Paxil, Seroxat, paroxetine, 61869-08-7, Paxil, Paxil CR, Seroxat, Paxetil, Frosinor, Paroxetina, Paroxetinum, Casbol, Motivan, Aropax, Paroxetinum [INN-Latin], PaxPar, Paroxetina [INN-Spanish], BRL 29060, FG 7051, Pexeva, Paroxetine [USAN:INN:BAN], BRL-29060, (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine, UNII-41VRH5220H, (3s,4r)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine, [3H]Paroxetine, C19H20FNO3, Paroxetine Acetate, (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine, (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-(methylenedioxy)phenoxy)methyl)piperidine, FG-7051, CHEMBL490, CHEBI:7936, 41VRH5220H, DSSTox_CID_3425, (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine, 110429-35-1, Paroxetine (TN), (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-methylenedioxy)phenoxy)methyl)piperidine, DSSTox_RID_77022, Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S,4R)-, Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, (3S-trans)-, DSSTox_GSID_23425, CHEMBL1708, Seroxat CR, piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-, HSDB 7175, (-)-Paroxetine, CAS-61869-08-7, Paroxetine (USP/INN), 3h-paroxetine, Paroxetine.HCl, Paroxetin HCL, Paxil, Pexeva, Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S-trans)-, NCGC00182968-01, 8PR, PAROXETINE HCL HEMIHYDRATE, NNC-20-7051, Spectrum_001752, SpecPlus_000788, AC1L2AKL, Prestwick3_000851, Spectrum5_001665, AC1Q4LV6, SCHEMBL27799, BSPBio_000861, KBioSS_002232, BIDD:GT0673, DivK1c_006884, AC1Q1H18, BPBio1_000949, GTPL4790, DTXSID3023425, BDBM22416, KBio1_001828, KBio2_002232, KBio2_004800, KBio2_007368, AHOUBRCZNHFOSL-YOEHRIQHSA-N, HMS2090H05, ZINC527386, KS-00000JK2, Tox21_113123, BDBM50331515, (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine, AKOS015888636, Tox21_113123_1, AC-8185, AN-8247, DB00715, (-)-trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]-piperidine, (3S-trans)-3-[(1,3-Benzodioxol-5-yl-oxy)methyl]-4-(4-fluorophenyl)piperidine, 3-(Benzo[1,3]Dioxol-5-Yl-Oxymethyl)-4-(4-Fluoro-Phenyl)-Piperidine Hydrochloride, NCGC00025355-02, NCGC00025355-03, NCGC00025355-04, NCGC00025355-05, NCGC00025355-06, NCGC00025355-07, NCGC00025355-08, NCGC00025355-09, NCGC00025355-12, AJ-23329, CC-33477, SC-16100, SC-22977, SBI-0051908.P002, LS-114249, TL8003967, AB00514724, FT-0085087, C07415, D02362, AB00053704-21, AB00053704_22, AB00053704_23, 869P087, C-19975, paroxetine hydrochloride (anhydrous or hemihydrate), I14-7752, BRD-K37991163-003-02-7, BRD-K37991163-050-05-1, Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-,(3S,4R)-, Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, (3S,4R)-, Paroxetine Hcl, Oxetine, Paroxetine hydrochloride, Brisdelle, Paroxetine Base, Paroxetine maleate, Paroxetine Mesilate, Paroxetine Mesylate, Seroxat (TN), Paxil (TN), Paroxetine HCl hydrate, D06GDY, D06VML, UNII-X2ELS050D8, Paroxetine hydrochloride hemihydrate, Paroxetine, cis-(+)-Isomer, Paroxetine, cis-(-)-Isomer, Paroxetine [USAN:BAN:INN], Paroxetine Hydrochloride Anhydrous, Paroxetine, trans-(+)-Isomer, Paroxetine hydrochloride hydrate, PAROXETINE, HYDROCHLORIDE, BRL 29060A, BRL-29060A, BRL29060, CID43815, C19-H20-F-N-O3, FG7051, Paroxetine Hydrochloride, Hemihydrate, 1596B, D017374, (3S-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine, (-)-trans-4-(p-fluorophenyl)-3-[[3,4-(methylenedioxy)phenoxy]methyl]piperidine, (-)-trans-4R-(4'-Fluorophenyl)-3S-((3',4'-methylenedioxyphenoxy)methyl)piperidine, (3S-TRANS)-3-[(1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-(4-FLUOROPHENYL)PIPERIDINE, (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine hydrochloride hemihydrate, 78246-49-8,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	329.143g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	329.371g/mol
Monoisotopic Mass	329.143g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	39.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number