Atomoxetine EP Impurity C HCl

CAT: 1596-AR-A02762-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A02762-01Size:25 Units

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CAS Number

1643684-06-3

Synonyms

(R) -N-methyl-3-phenyl-3- (p-tolyloxy) propan-1-amine hydrochloride; Atomoxetine USP Related Compound C ; p-Methyl Atomoxetine HCl

Molecular Formula

C17H21NO. HCl

Molecular Weight

255.36 36.46

API Name

Atomoxetine

Chemical Information

Atomoxetine EP Impurity C HCl

CAS Number	1643684-06-3
PubChem CID	121282207
IUPAC Name	(3R)-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
Molecular Formula	C17H22ClNO
Molecular Weight	291.8
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	229

SMILES

CC1=CC=C(C=C1)O[C@H](CCNC)C2=CC=CC=C2.Cl

InChI

InChI=1S/C17H21NO.ClH/c1-14-8-10-16(11-9-14)19-17(12-13-18-2)15-6-4-3-5-7-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1

InChIKey

JVGQLTAODNXGTO-UNTBIKODSA-N

Chemical Structure

2D Structure

CAS: 1643684-06-3

CID: 121282207

Formula: C17H22ClNO

MW: 291.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	291.1389920
Monoisotopic Mass	291.1389920
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-A02761-01	Atomoxetine EP Impurity A HCl
AR-A03245-01	Atomoxetine EP Impurity B HCl
AR-A02759-01	Atomoxetine EP Impurity F HCl
AR-A07303-01	Atomoxetine EP Impurity B-d3 HCl ((S) -Atomoxetine-d3 HCl)
AR-A04889-01	Atomoxetine EP Impurity D HCl Salt
AR-A02758-01	Atomoxetine EP Impurity A HCl ((R) -Isomer)
AR-A08132-01	Atomoxetine EP Impurity G
AR-A02756-01	Atomoxetine EP Impurity B
AR-A02763-01	Atomoxetine EP Impurity D
AR-A08105-01	N-Nitroso Atomoxetine EP Impurity C