AG00IMIM

110429-36-2 | Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-,(3S,4R)-

AG00IMIM

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	110429-36-2
Catalog Number	AG00IMIM(AGN-PC-0P0MWU)
Chemical Name	Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-,(3S,4R)-
IUPAC Name	(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidine
InChI	InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/t15-,18-/m0/s1
InChI Key	MOJZPKOBKCXNKG-YJBOKZPZSA-N
MDL Number	MFCD03788781
Molecular Formula	C20H22FNO3
Molecular Weight	343.3920
SMILES	CN1C[C@@H](COC2=CC=C(OCO3)C3=C2)[C@H](C4=CC=C(F)C=C4)CC1
UNII	3X658583PO
Synonyms	N-Methylparoxetine, 110429-36-2, N-Methyl Paroxetine, Methylparoxetine, UNII-3X658583PO, 3X658583PO, CPD000469181, (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine, PubChem15206, MLS001424004, Paroxetine Related Compound F, (3S,4R)-N-Methylparoxetine, CHEMBL322363, CHEBI:94536, DTXSID20149243, MOJZPKOBKCXNKG-YJBOKZPZSA-N, HMS2051I12, BCP13507, ZINC2586028, CM0167, MFCD03788781, AKOS015851047, AKOS015889696, CCG-100867, NC00117, AC-18943, SAM001246633, SMR000469181, trans-(-)-4-(4'-FLUORO PHENYL)-3-[[3,4-(METHYLENEDIOXY)- PHENOXY]-METHYL]-N-METHYLPIPERIDINE, AB1004560, TC-063875, TL8000322, FT-0642703, M2645, 429M362, C-20414, J-002423, BRD-K19277754-001-01-4, (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-1-methylpiperidine, (3S,4R)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-methylpiperidine, (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidine, (3S,4R)-3-(3,4-Methylene-dioxyphenoxy-methyl)-4-(4'-fluorophenyl)-N-methylpiperidine, (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine, Paroxetine Related Compound F, United States Pharmacopeia (USP) Reference Standard, Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-,(3S,4R)-, trans(-)-1-Methyl-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine, N-Methylparoxetine; (3S-trans)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-Piperidine; (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)-1-methylpiperidine, paroxetine, METHYL PAROXETINE, CID10947895, S-7965, Piperidina, 3-[(1,3-benzodioxol-5-iloxi)metil]-4-(4-fluorofenil)-1-metil-, (3s,4r)-, Piperidine, 3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-1-methyl-, (3S,4R)-,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	343.158g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	343.398g/mol
Monoisotopic Mass	343.158g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	30.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H410
Packing Group	Ⅲ
Precautionary statements	P273-P301+P310-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number