Trefentanil hydrochlorideProduct ingredient for Trefentanil
- Name
- Trefentanil hydrochloride
- Drug Entry
- Trefentanil
Trefentanil (A-3665) is a fentanyl analogue opioid developed in 1992. It is more potent and shorter acting than alfentanil. Trefentanil is not used in clinics due to the severity of its respiratory depression, though it is still used in research.
- Accession Number
- DBSALT001793
- Structure
Structure for Trefentanil hydrochloride (DBSALT001793)
- Synonyms
- Trefentanil HCl
- UNII
- 20742ZOB3G
- CAS Number
- 120656-93-1
- Weight
- Average: 503.02
Monoisotopic: 502.2259302 - Chemical Formula
- C25H32ClFN6O2
- InChI Key
- YMRJQYDWCFOMRR-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H31FN6O2.ClH/c1-3-23(33)32(22-13-9-8-12-21(22)26)25(20-10-6-5-7-11-20)14-16-29(17-15-25)18-19-31-24(34)30(4-2)27-28-31;/h5-13H,3-4,14-19H2,1-2H3;1H
- IUPAC Name
- N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl}-N-(2-fluorophenyl)propanamide hydrochloride
- SMILES
- Cl.CCN1N=NN(CCN2CCC(CC2)(N(C(=O)CC)C2=CC=CC=C2F)C2=CC=CC=C2)C1=O
- External Links
- ChemSpider
- 54731
- ChEMBL
- CHEMBL2107275
- Predicted Properties
Property Value Source Water Solubility 0.0261 mg/mL ALOGPS logP 3.72 ALOGPS logP 4.72 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 7.59 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 71.82 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 132.38 m3·mol-1 Chemaxon Polarizability 49.61 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon