Dapoxetine Impurity 26 HCl

CAT: 1596-AR-D06406-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D06406-01Size:10 Units

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CAS Number

2414049-30-0

Synonyms

N-methyl-3- (naphthalen-1-yloxy) -1-phenylpropan-1-amine, hydrochloride (1:1)

Molecular Formula

C20H21NO. HCl

Molecular Weight

291.39 36.46

API Name

Dapoxetine

Chemical Information

rac N-Demethyl Dapoxetine Hydrochloride

CAS Number	2414049-30-0
PubChem CID	139024839
IUPAC Name	N-methyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine;hydrochloride
Molecular Formula	C20H22ClNO
Molecular Weight	327.8
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	313

SMILES

CNC(CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3.Cl

InChI

InChI=1S/C20H21NO.ClH/c1-21-19(17-9-3-2-4-10-17)14-15-22-20-13-7-11-16-8-5-6-12-18(16)20;/h2-13,19,21H,14-15H2,1H3;1H

InChIKey

USKHWFSVXPFHHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2414049-30-0

CID: 139024839

Formula: C20H22ClNO

MW: 327.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	327.1389920
Monoisotopic Mass	327.1389920
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes