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Tapentadol-d3 Hydrochloride

CAT: 0572-TRC-T007203-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T007203-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1435782-38-9
Synonyms
Tapentadol-D3 Hydrochloride; Tapentadol-(N-methyl-D3) hydrochloride
Hazard Statement
Harmful if swallowed
Smiles
Cl.[2H]C([2H])([2H])N(C)C[C@H](C)[C@@H](CC)c1cccc(O)c1
Molecular Formula
C14 2H3 H20 N O . Cl H
Molecular Weight
260.82
InChI
InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1/i3D3;
Additionnal Information
IUPAC name: 3-[(2R,3R)-2-methyl-1-[methyl(trideuteriomethyl)amino]pentan-3-yl]phenol;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

3-((2R,3R)-2-methyl-1-(methyl(trideuteriomethyl)amino)pentan-3-yl)phenol;hydrochloride
CAS Number1435782-38-9
PubChem CID76974246
IUPAC Name3-[(2R,3R)-2-methyl-1-[methyl(trideuteriomethyl)amino]pentan-3-yl]phenol;hydrochloride
Molecular FormulaC14H24ClNO
Molecular Weight260.82
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity193
SMILES
[2H]C([2H])([2H])N(C)C[C@H](C)[C@@H](CC)C1=CC(=CC=C1)O.Cl
InChI
InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1/i3D3;
InChIKey
ZELFLGGRLLOERW-RSOVORQTSA-N
Chemical Structure
2D Structure
2D structure of 3-((2R,3R)-2-methyl-1-(methyl(trideuteriomethyl)amino)pentan-3-yl)phenol;hydrochloride
CAS: 1435782-38-9
CID: 76974246
Formula: C14H24ClNO
MW: 260.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass260.1734723
Monoisotopic Mass260.1734723
Topological Polar Surface Area23.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity193
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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