Oxycodone terephthalateProduct ingredient 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
- Accession Number
- DBSALT001326
- Structure
- 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
- External Links
- ChemSpider
- 30791916
- ChEMBL
- CHEMBL3989826
- Wikipedia
- Oxycodone
- Predicted Properties
Property Value Source Water Solubility 5.59 mg/mL ALOGPS logP 1.04 ALOGPS logP 1.03 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 13.57 Chemaxon pKa (Strongest Basic) 8.77 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 84.04 m3·mol-1 Chemaxon Polarizability 32.72 Å3 Chemaxon Number of Rings 11 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon