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Morphine EP Impurity E

CAT: 1596-AR-M03683-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03683-01Size:10 Units
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CAS Number
467-02-7
Synonyms
7,8-Didehydro-4,5α-epoxy-3-hydroxy-17-methylmorphinan-6-one (as per EP) ; Morphinone (EP)
Molecular Formula
C17H17NO3
API Name
Morphine

Chemical Information

Morphinone

Morphinone is a morphinane alkaloid. It is functionally related to a morphine. It is a conjugate base of a morphiniumone(1+).

CAS Number467-02-7
PubChem CID5459823
IUPAC Name(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC17H17NO3
Molecular Weight283.32
XLogP1.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity532
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C=C4
InChI
InChI=1S/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3/t10-,11+,16-,17-/m0/s1
InChIKey
PFBSOANQDDTNGJ-YNHQPCIGSA-N
Chemical Structure
2D Structure
2D structure of Morphinone
CAS: 467-02-7
CID: 5459823
Formula: C17H17NO3
MW: 283.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.32
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass283.12084340
Monoisotopic Mass283.12084340
Topological Polar Surface Area49.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity532
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