Atomoxetine-d3 hydrochloride

CAT: 0926-SYB77638-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-SYB77638-01Size:1 mg

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CAS Number

1217776-38-9

Smiles

CC1=CC=CC=C1OC (CCNC) C2=CC=CC=C2.Cl

Molecular Formula

C17H22ClNO

Molecular Weight

294.8 g/mol

Controlled

Chemical Information

Atomoxetine-d3, Hydrochloride

CAS Number	1217776-38-9
PubChem CID	46780488
IUPAC Name	(3R)-3-(2-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
Molecular Formula	C17H22ClNO
Molecular Weight	294.8
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	237

SMILES

[2H]C([2H])([2H])NCC[C@H](C1=CC=CC=C1)OC2=CC=CC=C2C.Cl

InChI

InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1/i2D3;

InChIKey

LUCXVPAZUDVVBT-NZDFJUHXSA-N

Chemical Structure

2D Structure

CAS: 1217776-38-9

CID: 46780488

Formula: C17H22ClNO

MW: 294.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	294.1578223
Monoisotopic Mass	294.1578223
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	237
Isotope Atom Count	3
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
SYB68614-01	4’-Hydroxy atomoxetine-d3
FD21238-01	Desmethyl atomoxetine hydrochloride
YJB31031-01	P-Methyl atomoxetine hydrochloride
FE22676-01	Ent S- (+) -atomoxetine hydrochloride
YJB31028-01	M-Methyl atomoxetine hydrochloride
BM164222	Atomoxetine hydrochloride - Bio-X TM
SYB62380-01	Diltiazem-d3 hydrochloride
BC181325-01	Cyclobenzaprine-D3 hydrochloride
HHC06402-01	Trifluoperazine-d3 hydrochloride
FT183977-01	Thiamine-d3 hydrochloride

Catalog	Name
TRC-A791402-25MG	Atomoxetine-d3 Hydrochloride
sc-217670	Atomoxetine-d3, Hydrochloride
HY-110223	Atomoxetine-d3 (hydrochloride)
A3975-02	Ent Atomoxetine-d3, Hydrochloride
HY-17385-01	Atomoxetine (hydrochloride)
MBS3606055-01	Atomoxetine hydrochloride
TRC-D290825-5MG	Desmethyl Atomoxetine Hydrochloride
HY-17385R-01	Atomoxetine (hydrochloride) (Standard)
MBS6088437-01	rac Atomoxetine Hydrochloride
CS-EO-02362	Atomoxetine D3