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Nefopam-d3 N-Oxide

CAT: 0572-TRC-N389417-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N389417-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346603-50-6
Synonyms
3,4,5,6-Tetrahydro-5-(methyl-d3)-1-phenyl-1H-2,5-benzoxazocine 5-Oxide;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N1(=O)CCOC(c2ccccc2)c3ccccc3C1
Molecular Formula
C17H16D3NO2
Molecular Weight
272.36
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Nefopam-d3 N-Oxide
CAS Number1346603-50-6
PubChem CID71750980
IUPAC Name5-oxido-1-phenyl-5-(trideuteriomethyl)-1,3,4,6-tetrahydro-2,5-benzoxazocin-5-ium
Molecular FormulaC17H19NO2
Molecular Weight272.36
XLogP2.3
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
[2H]C([2H])([2H])[N+]1(CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3)[O-]
InChI
InChI=1S/C17H19NO2/c1-18(19)11-12-20-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/i1D3
InChIKey
ADOSMCNCNFMWSW-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Nefopam-d3 N-Oxide
CAS: 1346603-50-6
CID: 71750980
Formula: C17H19NO2
MW: 272.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.36
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass272.160409087
Monoisotopic Mass272.160409087
Topological Polar Surface Area27.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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sc-478014Nefopam-d3 N-Oxide
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