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Oxymorphone

CAT: 0572-TRC-O876800-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O876800-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76-41-5
Synonyms
(5alpha)-4,5-Epoxy-3,14-dihydroxy-17-methyl-morphinan-6-one; 7,8-Dihydro-14-hydroxymorphinone; Dihydroxymorphinone; NIH 10323; NSC 19045; OXYMORPHONE
Hazard Statement
Toxic if swallowed; UN number: UN1544; Packing Group: III
Smiles
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
Molecular Formula
C17 H19 N O4
Molecular Weight
301.34
InChI
InChI=1S/C17H19NO4/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/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
Additionnal Information
IUPAC name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Oxymorphone

Oxymorphone is a morphinane alkaloid.

CAS Number76-41-5
PubChem CID5284604
IUPAC Name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC17H19NO4
Molecular Weight301.34
XLogP0.8
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity539
SMILES
CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C17H19NO4/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/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
InChIKey
UQCNKQCJZOAFTQ-ISWURRPUSA-N
Chemical Structure
2D Structure
2D structure of Oxymorphone
CAS: 76-41-5
CID: 5284604
Formula: C17H19NO4
MW: 301.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.34
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass301.13140809
Monoisotopic Mass301.13140809
Topological Polar Surface Area70 Ų
Heavy Atom Count22
Formal Charge0
Complexity539
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