Metabolite noroxycodone

Name
noroxycodone
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
95Q949779D
CAS number
Not Available
Weight
Average: 301.3371
Monoisotopic: 301.131408101
Chemical Formula
C17H19NO4
InChI Key
RIKMCJUNPCRFMW-ISWURRPUSA-N
InChI
InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
IUPAC Name
(1S,5R,13R,17S)-17-hydroxy-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one
SMILES
[H][[email protected]@]12OC3=C(OC)C=CC4=C3[[email protected]@]11CCN[[email protected]]([H])(C4)[[email protected]]1(O)CCC2=O
Reactions
Human Metabolome Database
HMDB0041960
ChemSpider
4590081
ChEMBL
CHEMBL3527426
ZINC
ZINC000002572820
Wikipedia
Noroxycodone
Predicted Properties
PropertyValueSource
Water Solubility5.22 mg/mLALOGPS
logP0.64ALOGPS
logP0.65ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)13.57ChemAxon
pKa (Strongest Basic)9.48ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area67.79 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity78.75 m3·mol-1ChemAxon
Polarizability30.74 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon