Oxycodone terephthalateProduct ingredient for Oxycodone

Name
Oxycodone terephthalate
Drug Entry
Oxycodone

Oxycodone is a semisynthetic derivative of codeine that acts as a narcotic analgesic more potent and addicting than codeine. An extended-release (ER) form of oxycodone (Xtampza ER) was approved for the management of daily, around-the-clock pain management in April, 2016.

Accession Number
DBSALT001326
Structure
Thumb
Synonyms
Not Available
UNII
M04XWV43UF
CAS Number
124133-68-2
Weight
Average: 796.87
Monoisotopic: 796.320724994
Chemical Formula
C44H48N2O12
InChI Key
BTEYIHUKHHAVAN-KDKWOIFOSA-N
InChI
InChI=1S/2C18H21NO4.C8H6O4/c2*1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h2*3-4,13,16,21H,5-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)/t2*13-,16+,17+,18-;/m11./s1
IUPAC Name
bis((1S,5R,13R,17S)-17-hydroxy-10-methoxy-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); benzene-1,4-dicarboxylic acid
SMILES
OC(=O)C1=CC=C(C=C1)C(O)=O.COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C.COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C
External Links
ChemSpider
30791916
ChEMBL
CHEMBL3989826
Wikipedia
Oxycodone
Predicted Properties
PropertyValueSource
Water Solubility5.59 mg/mLALOGPS
logP1.04ALOGPS
logP1.03ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)13.56ChemAxon
pKa (Strongest Basic)8.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area59 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity84.04 m3·mol-1ChemAxon
Polarizability32.78 Å3ChemAxon
Number of Rings11ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon