Almitrine mesylateProduct ingredient for Almitrine
- Name
- Almitrine mesylate
- Drug Entry
- Almitrine
Almitrine is a respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. It is used in the treatment of chronic obstructive pulmonary disease. It is also reported to have a potentially beneficial effect in treating the noctural oxygen desaturation without impairing the quality of sleep.
- Accession Number
- DBSALT000916
- Structure
Structure for Almitrine mesylate (DBSALT000916)
- Synonyms
- Not Available
- UNII
- 6RY6V6XM8T
- CAS Number
- 29608-49-9
- Weight
- Average: 669.76
Monoisotopic: 669.221480613 - Chemical Formula
- C28H37F2N7O6S2
- InChI Key
- MRDBGMJEPGXQHJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)
- IUPAC Name
- N-(4-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-6-[(prop-2-en-1-yl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)prop-2-en-1-amine; bis(methanesulfonic acid)
- SMILES
- CS(O)(=O)=O.CS(O)(=O)=O.FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NC(N1)=NCC=C)=NCC=C)C1=CC=C(F)C=C1
- External Links
- PubChem Compound
- 6918543
- ChemSpider
- 5293740
- ChEBI
- 53779
- ChEMBL
- CHEMBL3181957
- Predicted Properties
Property Value Source Water Solubility 0.0184 mg/mL ALOGPS logP 3.54 ALOGPS logP 4.99 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 9.49 Chemaxon pKa (Strongest Basic) 6.89 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 67.62 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 134.59 m3·mol-1 Chemaxon Polarizability 51.14 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