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Oxycodone-(methoxy-d3)

CAT: 0572-TRC-O870597-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O870597-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
160227-46-3
Synonyms
Oxycodone-D3; Oxycodone-O-methyl-D3; Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-(methoxy-d3)-17-methyl-, (5α)-; (methoxy-d3)-Oxycodone
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])Oc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Molecular Formula
C18 2H3 H18 N O4
Molecular Weight
318.38
InChI
InChI=1S/C18H21NO4/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/t13-,16+,17+,18-/m1/s1/i2D3
Additionnal Information
IUPAC name: (4R,4aS,7aR,12bS)-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Shipping Conditions
Room Temperature

Chemical Information

Oxycodone-(methoxy-d3)
CAS Number160227-46-3
PubChem CID45040173
IUPAC Name(4R,4aS,7aR,12bS)-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC18H21NO4
Molecular Weight318.4
XLogP1.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity553
SMILES
[2H]C([2H])([2H])OC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4C)[C@@H](O2)C(=O)CC5)O)C=C1
InChI
InChI=1S/C18H21NO4/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/t13-,16+,17+,18-/m1/s1/i2D3
InChIKey
BRUQQQPBMZOVGD-CLILCLBHSA-N
Chemical Structure
2D Structure
2D structure of Oxycodone-(methoxy-d3)
CAS: 160227-46-3
CID: 45040173
Formula: C18H21NO4
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass318.16588839
Monoisotopic Mass318.16588839
Topological Polar Surface Area59 Ų
Heavy Atom Count23
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-60101Oxycodone- (methoxy-d3)
RM-O240409-01Oxycodone D3
CS-O-15077Oxycodone (N-methyl) D3
CS-T-103194Oxycodone-d3 N-Oxide
461759-01Oxycodone-d3 N-Oxide discontinued
411633-0110-Hydroxy Oxycodone-d3 discontinued
LAC08382-01Oxycodone-o-methyl-d3 hydrochloride
441863-01Asulam-d3 (methoxy-d3)
RM-U180146-01Urapidil-D3 (Methoxy-D3)
AR-V06387-01Vanillin-d3 (methoxy-d3)

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