Mecloxamine citrateProduct ingredient for Mecloxamine
- Name
- Mecloxamine citrate
- Drug Entry
- Mecloxamine
- Accession Number
- DBSALT003020
- Structure
Structure for Mecloxamine citrate (DBSALT003020)
- Synonyms
- Not Available
- UNII
- 26G46G752S
- CAS Number
- 56050-03-4
- Weight
- Average: 509.98
Monoisotopic: 509.1816447 - Chemical Formula
- C25H32ClNO8
- InChI Key
- NWXYYVAVFTZHND-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H24ClNO.C6H8O7/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,15H,14H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid; {2-[1-(4-chlorophenyl)-1-phenylethoxy]propyl}dimethylamine
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CC(CN(C)C)OC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
- External Links
- ChemSpider
- 4956182
- Predicted Properties
Property Value Source Water Solubility 0.00304 mg/mL ALOGPS logP 4.81 ALOGPS logP 4.81 Chemaxon logS -5 ALOGPS pKa (Strongest Basic) 9.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 93.99 m3·mol-1 Chemaxon Polarizability 35.6 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon