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Dapoxetine hydrochloride

CAT: 0607-SL1045-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-SL1045-1Size:1 mg
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Description
A stable isotope deuterated compound of Dapoxetine hydrochloride
CAS Number
2699607-47-9
Product Name Alternative
(S) -N, N-dimethyl-3- ((naphthalen-1-yl-d7) oxy) -1-phenylpropan-1-amine hydrochloride
Smiles
CN (C) [C@H] (C1=CC=CC=C1) CCOC2=C3C (C ([2H]) =C ([2H]) C ([2H]) =C3[2H]) =C ([2H]) C ([2H]) =C2[2H].Cl
Molecular Formula
C21H17D7ClNO
Molecular Weight
348.92
Storage Conditions
Store at -20°C

Chemical Information

Dapoxetine-d7 hydrochloride
CAS Number2699607-47-9
PubChem CID154828600
IUPAC Name(1S)-3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)oxy-N,N-dimethyl-1-phenylpropan-1-amine;hydrochloride
Molecular FormulaC21H24ClNO
Molecular Weight348.9
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity337
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=C2OCC[C@@H](C3=CC=CC=C3)N(C)C)[2H])[2H])[2H])[2H])[2H].Cl
InChI
InChI=1S/C21H23NO.ClH/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21;/h3-14,20H,15-16H2,1-2H3;1H/t20-;/m0./s1/i6D,7D,8D,9D,12D,13D,14D;
InChIKey
IHWDIQRWYNMKFM-WISGJDKSSA-N
Chemical Structure
2D Structure
2D structure of Dapoxetine-d7 hydrochloride
CAS: 2699607-47-9
CID: 154828600
Formula: C21H24ClNO
MW: 348.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass348.1985793
Monoisotopic Mass348.1985793
Topological Polar Surface Area12.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity337
Isotope Atom Count7
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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