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14-Hydroxy Norcodeinone

CAT: 0572-TRC-H922210-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H922210-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2302-68-3
Synonyms
(5α)-7,8-didehydro-4,5-epoxy-14-hydroxy-3-methoxy-Morphinan-6-one; 14-hydroxynorcodeinone; N-Noroxycodeinone; Norhydroxycodeinone
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O[C@@]([C@H]1CC2=CC=C3OC)(C=C4)[C@@]5(CCN1)C2=C3O[C@H]5C4=O
Molecular Formula
C17H17NO4
Molecular Weight
299.32
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

14-Hydroxy Norcodeinone
CAS Number2302-68-3
PubChem CID15922855
IUPAC Name(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC17H17NO4
Molecular Weight299.32
XLogP0.7
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity563
SMILES
COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)C=C5)O)C=C1
InChI
InChI=1S/C17H17NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-5,12,15,18,20H,6-8H2,1H3/t12-,15+,16+,17-/m1/s1
InChIKey
WCEICHOCRFRVDG-ISWURRPUSA-N
Chemical Structure
2D Structure
2D structure of 14-Hydroxy Norcodeinone
CAS: 2302-68-3
CID: 15922855
Formula: C17H17NO4
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass299.11575802
Monoisotopic Mass299.11575802
Topological Polar Surface Area67.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity563
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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