3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one

HCID 4639
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5
InChIKey
UQCNKQCJZOAFTQ-UHFFFAOYSA-N
Molecular formula
C17H19NO4
Average molar mass
301.34 g/mol
Monoisotopic mass
301.13140809

Overview

See also: Oxymorphone (annotation moved to); Oxymorphone Hydrochloride (annotation moved to).

Names & identifiers

Preferred name
3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6-one
IUPAC
4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Names & synonyms

DTXSID808590933,14-dihydroxy-17-methyl-4,5-epoxymorphinan-6-oneRefChem:1065492DTXCID30202752Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-methyl-, (5.alpha.)-NSC 190454,5.alpha.-Epoxy-3,14-dihydroxy-17-methylmorphinan-6-oneCHEMBL608538SCHEMBL10031248UQCNKQCJZOAFTQ-UHFFFAOYSA-NVFA22503NS00010424
Show more names
L0010503,14-Dihydroxy-4,5-.alpha.-epoxy-17-methylmorphinan-6-oneMorphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-methyl-Morphinan-6-one, 3,14-dihydroxy-4,5-.alpha.-epoxy-17-methyl-

Database identifiers

PubChem CID
4639
DTXSID
DTXSID80859093
ChEMBL
CHEMBL608538
Nikkaji
J23.880E

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
70 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
22

Chemistry & industry

Pharmacology

Metabolism/MetabolitesOxymorphone is a known human metabolite of oxycodone.

Related reactions

2 records
New reaction record

Linked notes

Loading…