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Tapentadol-d5 N-Oxide

CAT: 0572-TRC-T007217-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T007217-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346603-32-4
Hazard Statement
Harmful if swallowed
Smiles
OC1=CC=CC([C@H](C([2H])([2H])C([2H])([2H])[2H])[C@@H](C)CN(C)(C)=O)=C1
Molecular Formula
C14H18D5NO2
Molecular Weight
242.37
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tapentadol-d5 N-Oxide
CAS Number1346603-32-4
PubChem CID71752326
IUPAC Name(2R,3R)-4,4,5,5,5-pentadeuterio-3-(3-hydroxyphenyl)-N,N,2-trimethylpentan-1-amine oxide
Molecular FormulaC14H23NO2
Molecular Weight242.37
XLogP3
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity230
SMILES
[2H]C([2H])([2H])C([2H])([2H])[C@@H](C1=CC(=CC=C1)O)[C@@H](C)C[N+](C)(C)[O-]
InChI
InChI=1S/C14H23NO2/c1-5-14(11(2)10-15(3,4)17)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1/i1D3,5D2
InChIKey
QJMYEQICSAOVMO-ODWVCUCBSA-N
Chemical Structure
2D Structure
2D structure of Tapentadol-d5 N-Oxide
CAS: 1346603-32-4
CID: 71752326
Formula: C14H23NO2
MW: 242.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.37
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass242.204262706
Monoisotopic Mass242.204262706
Topological Polar Surface Area38.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity230
Isotope Atom Count5
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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