Metabolite oxymorphone

Name
oxymorphone
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 301.3371
Monoisotopic: 301.131408101
Chemical Formula
C17H19NO4
InChI Key
UQCNKQCJZOAFTQ-ISWURRPUSA-N
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
IUPAC Name
(1S,5R,13R,17S)-10,17-dihydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
SMILES
[H][[email protected]@]12OC3=C(O)C=CC4=C3[[email protected]@]11CCN(C)[[email protected]]([H])(C4)[[email protected]]1(O)CCC2=O
Reactions
Human Metabolome Database
HMDB0015323
KEGG Compound
C08019
ChemSpider
4447650
BindingDB
50001707
ChEBI
7865
ChEMBL
CHEMBL963
ZINC
ZINC000003875483
Wikipedia
Oxymorphone
Predicted Properties
PropertyValueSource
Water Solubility25.6 mg/mLALOGPS
logP1.26ALOGPS
logP0.78ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)10.07ChemAxon
pKa (Strongest Basic)8.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area70 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity79.56 m3·mol-1ChemAxon
Polarizability30.77 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon