Pentazocine lactateProduct ingredient for Pentazocine
- Name
- Pentazocine lactate
- Drug Entry
- Pentazocine
The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)
- Accession Number
- DBSALT001010
- Structure
Structure for Pentazocine lactate (DBSALT001010)
- Synonyms
- Pentazocine lactate
- UNII
- 1P2XIB510O
- CAS Number
- 17146-95-1
- Weight
- Average: 375.509
Monoisotopic: 375.240958547 - Chemical Formula
- C22H33NO4
- InChI Key
- QNLDTXPVZPRSAM-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H27NO.C3H6O3/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;1-2(4)3(5)6/h5-7,12,14,18,21H,8-11H2,1-4H3;2,4H,1H3,(H,5,6)
- IUPAC Name
- 1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol; 2-hydroxypropanoic acid
- SMILES
- CC(O)C(O)=O.CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C
- External Links
- ChemSpider
- 10606464
- ChEMBL
- CHEMBL3989509
- Wikipedia
- Pentazocine
- Predicted Properties
Property Value Source Water Solubility 0.122 mg/mL ALOGPS logP 4.44 ALOGPS logP 3.89 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 10.42 Chemaxon pKa (Strongest Basic) 9.57 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 23.47 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 89.8 m3·mol-1 Chemaxon Polarizability 33.81 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon