| CAS Number | 1187954-57-9 |
| Catalog Number | AG008VUE(AGN-PC-0WH3V1) |
| Chemical Name | 4-[4-[4-(Diphenylmethylene)-1-piperidinyl]-1-hydroxybutyl]-a,a-dimethyl-benzeneacetic Acid |
| IUPAC Name | 2-[4-[4-(4-benzhydrylidenepiperidin-1-yl)-1-hydroxybutyl]phenyl]-2-methylpropanoic acid |
| InChI | InChI=1S/C32H37NO3/c1-32(2,31(35)36)28-17-15-24(16-18-28)29(34)14-9-21-33-22-19-27(20-23-33)30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,29,34H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChI Key | BRVDCQYIFNJGSU-UHFFFAOYSA-N |
| MDL Number | MFCD30186720 |
| Molecular Formula | C32H37NO3 |
| Molecular Weight | 483.6411 |
| SMILES | CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(=C(c3ccccc3)c4ccccc4)CC2 |
| Synonyms | 1187954-57-9,
Fexofenadine Impurity G,
SCHEMBL1968862,
AKOS027446719,
4-[4-[4-(Diphenylmethylene)-1-piperidinyl]-1-hydroxybutyl]-|A,|A-dimethyl-benzeneacetic Acid,
BRVDCQYIFNJGSU-UHFFFAOYSA-N,
Fexofenadine Hydrochloride EP Impurity G,
|
| Complexity | 694 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 483.277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 483.652g/mol |
| Monoisotopic Mass | 483.277g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number