Ronacaleret hydrochlorideProduct ingredient for Ronacaleret
- Name
- Ronacaleret hydrochloride
- Drug Entry
- Ronacaleret
Ronacaleret is a calcium-sensing receptor antagonist.
- Accession Number
- DBSALT002379
- Structure
Structure for Ronacaleret hydrochloride (DBSALT002379)
- Synonyms
- Ronacaleret HCl
- External IDs
- SB-751689-A
- UNII
- LZM2DSH251
- CAS Number
- 702686-96-2
- Weight
- Average: 483.98
Monoisotopic: 483.1987925 - Chemical Formula
- C25H32ClF2NO4
- InChI Key
- BQGSCEAKPBWIDI-VEIFNGETSA-N
- InChI
- InChI=1S/C25H31F2NO4.ClH/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27;/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31);1H/t20-;/m1./s1
- IUPAC Name
- 3-{3-[(2R)-3-{[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino}-2-hydroxypropoxy]-4,5-difluorophenyl}propanoic acid hydrochloride
- SMILES
- Cl.CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F
- External Links
- ChemSpider
- 8520671
- ChEMBL
- CHEMBL1083998
- Predicted Properties
Property Value Source Water Solubility 0.00145 mg/mL ALOGPS logP 2.37 ALOGPS logP 2.21 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 3.23 Chemaxon pKa (Strongest Basic) 9.96 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 78.79 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 118.36 m3·mol-1 Chemaxon Polarizability 47.23 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon