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Norhydrocodone-d3 (~90%)

CAT: 0572-TRC-N705757-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N705757-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426215-53-3
Synonyms
(5α)-4,5-Epoxy-3-methoxymorphinan-6-one-d3; Dihydronorcodeinone-d3;
Hazard Statement
Harmful if swallowed; UN number: UN1544; Packing Group: III
Smiles
[H][C@]1([C@H]2C3)[C@@]4(CCN2)C5=C3C=CC(OC([2H])([2H])[2H])=C5O[C@H]4C(CC1)=O
Molecular Formula
C17H16D3NO3
Molecular Weight
288.36
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Norhydrocodone-d3 (~90%)
CAS Number1426215-53-3
PubChem CID117065160
IUPAC Name(4R,4aR,7aR,12bS)-9-(trideuteriomethoxy)-2,3,4,4a,5,6,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC17H19NO3
Molecular Weight288.36
XLogP1.7
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity481
SMILES
[2H]C([2H])([2H])OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)C(=O)CC5)C=C1
InChI
InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-11,16,18H,3-4,6-8H2,1H3/t10-,11+,16-,17-/m0/s1/i1D3
InChIKey
JGORUXKMRLIJSV-HOSVTXOBSA-N
Chemical Structure
2D Structure
2D structure of Norhydrocodone-d3 (~90%)
CAS: 1426215-53-3
CID: 117065160
Formula: C17H19NO3
MW: 288.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.36
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass288.15532371
Monoisotopic Mass288.15532371
Topological Polar Surface Area47.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity481
Isotope Atom Count3
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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