Oxycodone terephthalateProduct ingredient for Oxycodone

Show full entry for Oxycodone
Name
Oxycodone terephthalate
Drug Entry
Oxycodone

Oxycodone is a semisynthetic opioid analgesic derived from thebaine in Germany in 1917.3 It is currently indicated as an immediate release product for moderate to severe pain and as an extended release product for chronic moderate to severe pain requiring continuous opioid analgesics for an extended period.Label The first oxycodone containing product, Percodan, was approved by the FDA on April 12, 1950.5

See full entry for Oxycodone
Accession Number
DBSALT001326
Structure
Similar Structures
Synonyms
Oxycodone terephthalate
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
ChemSpider
30791916
ChEMBL
CHEMBL3989826
Wikipedia
Oxycodone
Predicted Properties
PropertyValueSource
Water Solubility5.59 mg/mLALOGPS
logP1.04ALOGPS
logP1.03Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)13.57Chemaxon
pKa (Strongest Basic)8.77Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area59 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity84.04 m3·mol-1Chemaxon
Polarizability32.72 Å3Chemaxon
Number of Rings11Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon