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Oxycodone-N-methyl-d3 Hydrochloride

CAT: 0572-TRC-O870602-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O870602-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261080-20-9
Synonyms
Oxycodone-N-methyl-D3 Hydrochloride; (5α)-4,5-Epoxy-14-hydroxy-3-methoxy-17-(methyl-d3)morphinan-6-one hydrochloride
Hazard Statement
Harmful if swallowed.
Smiles
Cl.[2H]C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(OC)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
Molecular Formula
C18 2H3 H18 N O4 . Cl H
Molecular Weight
354.84
InChI
InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1/i1D3;
Additionnal Information
IUPAC name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oxycodone-N-methyl-d3 Hydrochloride
CAS Number1261080-20-9
PubChem CID46782659
IUPAC Name(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Molecular FormulaC18H22ClNO4
Molecular Weight354.8
Topological Polar Surface Area59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity553
SMILES
[2H]C([2H])([2H])N1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl
InChI
InChI=1S/C18H21NO4.ClH/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;/h3-4,13,16,21H,5-9H2,1-2H3;1H/t13-,16+,17+,18-;/m1./s1/i1D3;
InChIKey
MUZQPDBAOYKNLO-NNKYMZDZSA-N
Chemical Structure
2D Structure
2D structure of Oxycodone-N-methyl-d3 Hydrochloride
CAS: 1261080-20-9
CID: 46782659
Formula: C18H22ClNO4
MW: 354.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass354.1425661
Monoisotopic Mass354.1425661
Topological Polar Surface Area59 Ų
Heavy Atom Count24
Formal Charge0
Complexity553
Isotope Atom Count3
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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