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10-Oxo Morphine

CAT: 1596-AR-M03345-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03345-01Size:10 Units
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CAS Number
68254-48-8
Synonyms
(5α,6α) -7,8-Didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-one; 10-Oxomorphine; ZINC 22065588
Molecular Formula
C17H17NO4
Molecular Weight
299.32
API Name
Morphine

Chemical Information

10-Oxomorphine

decomposition product of morphine; structure given in first source; RN given refers to (5alpha,6alpha)-isomer

CAS Number68254-48-8
PubChem CID5488489
IUPAC Name(4S,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
Molecular FormulaC17H17NO4
Molecular Weight299.32
XLogP1.1
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity563
SMILES
CN1CC[C@]23[C@@H]4[C@H]1C(=O)C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI
InChI=1S/C17H17NO4/c1-18-7-6-17-9-3-5-11(20)16(17)22-15-10(19)4-2-8(12(15)17)14(21)13(9)18/h2-5,9,11,13,16,19-20H,6-7H2,1H3/t9-,11-,13-,16-,17-/m0/s1
InChIKey
HNJBQZPKNKFLFM-CBEJNMEVSA-N
Chemical Structure
2D Structure
2D structure of 10-Oxomorphine
CAS: 68254-48-8
CID: 5488489
Formula: C17H17NO4
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP31.1
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
Complexity563
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