AG00ILQO

110429-35-1 | Paroxetine hydrochloride hemihydrate

AG00ILQO

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CAS Number	110429-35-1
Catalog Number	AG00ILQO(AGN-PC-0P0MW9)
Chemical Name	Paroxetine hydrochloride hemihydrate
IUPAC Name	(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride
InChI	InChI=1S/C19H20FNO3.ClH/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;1H/t14-,17-;/m0./s1
InChI Key	GELRVIPPMNMYGS-RVXRQPKJSA-N
MDL Number	MFCD03658863
Molecular Formula	C38H44Cl2F2N2O7
Molecular Weight	749.6680
NSC Number	758654
SMILES	FC1=CC=C([C@H]2[C@H](COC3=CC=C(OCO4)C4=C3)CNCC2)C=C1.FC5=CC=C([C@H]6[C@H](COC7=CC=C(OCO8)C8=C7)CNCC6)C=C5.[H]Cl.[H]Cl.[H]O[H]
UNII	3I3T11UD2S
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 hydrochloride, Paroxetine Hcl, 78246-49-8, Paxil, Paroxat, paroxetine (hydrochloride), Aropax 20, (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine hydrochloride, 110429-35-1, BRL 29060 hydrochloride, UNII-3I3T11UD2S, Aropax, Paroxetine hydrochloride [USP], BRL29060A, BRL 29060A, SDB 7175, 3I3T11UD2S, Paroxetine hydrochloride hemihydrate (MW = 374.83), HSDB 7175, S3005, C19H21ClFNO3, Paxil (TN), Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, hydrochloride, (3S,4R)-, Paroxetine hydrochloride (USP), CHEMBL1708, (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine hydrochloride, (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride, (-)-(3S,4R)-4-(p-Fluorophenyl)-3-((3,4-methylenedioxy)phenoxy)-methyl)piperidine hydrochloride, (3S-TRANS)-3-[(1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE, Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, hydrochloride, (3S-trans)-, FG-7051, paroxatene, Paroxetine hydrochloride [USAN], Paroxetine, HCl, AK-49032, paroxetine (Paxil), MFCD03658863, AC1L1XYV, BRL29060 hydrochloride, C19H20FNO3.HCl, SCHEMBL33348, MLS002222322, PAROXETIN HYDROCHLORIDE, SPECTRUM1504085, CHEBI:7944, KS-00000JOT, DTXSID50228914, GELRVIPPMNMYGS-RVXRQPKJSA-N, BRL-29060A, HMS1922B11, Pharmakon1600-01504085, (-)-trans-paroxetine hydrochloride, (S)-3-(BENZO[1,3]DIOXOL-5-YLOXYMETHYL)-4-(4-FLUORO-PHENYL)-PIPERIDINE HYDROCHLORIDE, HY-B0492, Tox21_500095, ANW-49202, BG0380, CCG-39866, NSC758654, AKOS015849162, AKOS015907108, API0003757, CS-2611, H29P351, KS-5097, LP00095, NSC-758654, YF10047, (3S,4R)-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride, NCGC00093597-01, NCGC00260780-01, AN-15600, BR-49032, SMR001307264, AB0008509, AB1004558, AX8022605, LS-114251, TC-137947, TL8005348, EU-0100095, P1977, ST24025708, SW197457-4, D05374, J10285, Paroxetine or other medication - algorithm used, S-2491, 110429-35-1(hemihydrate) 61869-08-7, SR-01000759305, SR-01000759305-6, Z1741971218, (-)-trans-4-(-4-fluorophenyl)-3-(3,4-methylenedioxy-phenoxymethyl)-piperidine hydrochloride, (-)-trans-4-(-4-fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-piperidine hydrochloride, (-)-trans-4-(4-fluorophenyl)-3-(3,4-methylene dioxyphenoxymethyl)-piperidine hydrochloride, (3S,4R)-3-((BENZO[D][1,3]DIOXOL-5-YLOXY)METHYL)-4-(4-FLUOROPHENYL)PIPERIDINE HCL, (3S-trans)-3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-piperidine hydrochloride, (-)TRANS-3-[(1,3-BENZODIOXOL-5-YLOXY) METHYL]-4-(4-FLUOROPHENYL) PAROXETINE HYDROCHLORIDE, (3S,4R)-3-[(1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-(4-FLUOROPHENYL)-PIPERIDINE HYDROCHLORIDE, (3S-trans)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride; Paroxetine Hydrochloride Anhydrous; (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine; 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl, Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-, hydrochloride,(3S-trans)-, Seroxat, paroxetine, Paxil CR, paroxetinehydrochloride, Paroxetine HCl hydrate, Bisphenol A cyanate ester, C19H20FNO3.ClH, UNII-X2ELS050D8, Paroxetine hydrochloride hemihydrate, CID62878, C19-H20-F-N-O3.Cl-H, ACN-048179, CS-O-11706, B2252, Paroxetine hydrochloride, 99%, a selective serotonin-reuptake inhibitor - 1G 1g, (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine hydrochloride hemihydrate, (3S-trans)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine hydrochloride hemihydrate, 1156-51-0, 61869-08-7, Paroxetine hydrochloride hemihydrate, 99%, selective serotonin-reuptake inhibitors (SSRIs) - 1G 1g, Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride, (3S,4R)-,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	365.119g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	365.829g/mol
Monoisotopic Mass	365.119g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	39.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H411
Packing Group	Ⅲ
Precautionary statements	P301+P312+P330
UN Code	UN 3077

Certificate of Analysis

Lot Number