OXYMORPHONE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 5Y2EI94NBC
EPA CompTox DTXSID10189214
Parent Compound: OXYMORPHONE

Structure

InChI Key BCGJBQBWUGVESK-KCTCKCTRSA-N
Smiles CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
InChI
InChI=1S/C17H19NO4.ClH/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;1H/t12-,15+,16+,17-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO4
Molecular Weight 337.8
AlogP 0.75
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 70.0
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Bioactivity

Mechanism of Action Action Reference
Opioid receptors; mu/kappa/delta agonist AGONIST PubMed DailyMed
Protein: Opioid receptors; mu/kappa/delta
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Opioid receptors; mu/kappa/delta
Description: Delta-type opioid receptor
Organism : Homo sapiens
P41143 ENSG00000116329
Protein: Opioid receptors; mu/kappa/delta
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
250 - - - -
Assay Description Organism Bioactivity Reference
Binding affinity to opiate receptor in rat brain homogenates Rattus norvegicus 250.0 nM

Cross References

Resources Reference
ChEBI 7866
ChEMBL CHEMBL1200794
FDA SRS 5Y2EI94NBC
Guide to Pharmacology 7094
KEGG C08019
PubChem 5359390
SureChEMBL SCHEMBL41770
ZINC ZINC03875483
CONTENTS