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14-Hydroxy Codeinone

CAT: 0572-TRC-H922200-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H922200-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
508-54-3
Synonyms
Oxycodone Hydrochloride Imp. D (EP); Oxycodone Imp. D (EP); Oxycodone USP Related Compound A CII; Oxycodone USP RC A CII; Morphinan-6-one, 7,8-didehydro-4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5alpha)-; Codeinone, 14-hydroxy- (6CI,7CI); Morphinan-6-one, 7,8-didehydro-4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- (8CI); 14-Hydroxycodeinone; 14beta-Hydroxycodeinone; Hydroxycodeinone; Oxycodone Related Compound A; Codeine Monohydrate Impurity K; Oxycodone Hydrochloride Impurity D; Codeine Impurity K; Oxycodone Impurity D
Hazard Statement
Harmful if swallowed
Smiles
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O
Molecular Formula
C18 H19 N O4
Molecular Weight
313.35
InChI
InChI=1S/C18H19NO4/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/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
Additionnal Information
IUPAC name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Hydroxycodeinone

hydroxycodeinone has been reported in Papaver bracteatum with data available.

CAS Number508-54-3
PubChem CID9926820
IUPAC Name(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC18H19NO4
Molecular Weight313.3
XLogP1.1
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity592
SMILES
CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI
InChI=1S/C18H19NO4/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/h3-6,13,16,21H,7-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
InChIKey
YYCRAERBSFHMPL-XFKAJCMBSA-N
Chemical Structure
2D Structure
2D structure of Hydroxycodeinone
CAS: 508-54-3
CID: 9926820
Formula: C18H19NO4
MW: 313.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.3
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass313.13140809
Monoisotopic Mass313.13140809
Topological Polar Surface Area59 Ų
Heavy Atom Count23
Formal Charge0
Complexity592
Isotope Atom Count0
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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