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Oxymorphinone

CAT: 0572-TRC-O876730-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O876730-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41135-98-2
Synonyms
(5α)-7,8-Didehydro-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-one; 14-Hydroxymorphinone; 14-Hydroxymorphine-6-one
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)C=CC4=O)c35
Molecular Formula
C17 H17 N O4
Molecular Weight
299.32
InChI
InChI=1S/C17H17NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-5,12,15,19,21H,6-8H2,1H3/t12-,15+,16+,17-/m1/s1
Additionnal Information
IUPAC name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-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

14-Hydroxymorphine-6-one
CAS Number41135-98-2
PubChem CID15286253
IUPAC Name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC17H17NO4
Molecular Weight299.32
XLogP0.8
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity577
SMILES
CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C17H17NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-5,12,15,19,21H,6-8H2,1H3/t12-,15+,16+,17-/m1/s1
InChIKey
VFNHLTBRAFJQER-ISWURRPUSA-N
Chemical Structure
2D Structure
2D structure of 14-Hydroxymorphine-6-one
CAS: 41135-98-2
CID: 15286253
Formula: C17H17NO4
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass299.11575802
Monoisotopic Mass299.11575802
Topological Polar Surface Area70 Ų
Heavy Atom Count22
Formal Charge0
Complexity577
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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