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6alpha-Oxycodol

CAT: 0572-TRC-O870580-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O870580-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7183-69-9
Synonyms
Dihydrooxycodone
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CN1[C@H]2[C@@]3(O)[C@]4(CC1)[C@](OC5=C4C(C2)=CC=C5OC)([H])[C@@H](O)CC3
Molecular Formula
C18H23NO4
Molecular Weight
317.4
InChI
InChI=1S/C18H23NO4/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/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13+,16-,17-,18+/m0/s1
Additionnal Information
IUPAC name: 4,5α-epoxy-3-methoxy-17-methyl-morphinan-6α,14-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6alpha-Oxycodol
CAS Number7183-69-9
PubChem CID5360241
IUPAC Name(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol
Molecular FormulaC18H23NO4
Molecular Weight317.4
XLogP-0.8
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity515
SMILES
CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)O
InChI
InChI=1S/C18H23NO4/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/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13+,16-,17-,18+/m0/s1
InChIKey
LHTAJTFGGUDLRH-QMVVXIJUSA-N
Chemical Structure
2D Structure
2D structure of 6alpha-Oxycodol
CAS: 7183-69-9
CID: 5360241
Formula: C18H23NO4
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass317.16270821
Monoisotopic Mass317.16270821
Topological Polar Surface Area62.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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