Talnetant hydrochlorideProduct ingredient for Talnetant
- Name
- Talnetant hydrochloride
- Drug Entry
- Talnetant
Talnetant (SB-223,412) is a neurokinin 3 receptor antagonist developed by GlaxoSmithKline, which is being researched for several different functions, primarily for irritable bowel syndrome and as a potential antipsychotic drug for the treatment of schizophrenia.
- Accession Number
- DBSALT002012
- Structure
Structure for Talnetant hydrochloride (DBSALT002012)
- Synonyms
- Not Available
- UNII
- C1ZIJ8F59E
- CAS Number
- 204519-66-4
- Weight
- Average: 418.92
Monoisotopic: 418.1448057 - Chemical Formula
- C25H23ClN2O2
- InChI Key
- BHCSUEHQURQVLD-BDQAORGHSA-N
- InChI
- InChI=1S/C25H22N2O2.ClH/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18;/h3-16,20,28H,2H2,1H3,(H,27,29);1H/t20-;/m0./s1
- IUPAC Name
- 3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide hydrochloride
- SMILES
- Cl.CC[C@H](NC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 8020669
- ChEMBL
- CHEMBL2146089
- Predicted Properties
Property Value Source Water Solubility 0.00127 mg/mL ALOGPS logP 4.98 ALOGPS logP 6.25 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 8.03 Chemaxon pKa (Strongest Basic) 2.73 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 62.22 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 114.25 m3·mol-1 Chemaxon Polarizability 42.49 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 No Chemaxon