| CAS Number | 1391054-40-2 |
| Catalog Number | AG009FMZ(AGN-PC-0WH3EZ) |
| Chemical Name | 4-Hydroxy-3-methyl-α-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]benzenemethanol |
| IUPAC Name | 4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylphenol |
| InChI | InChI=1S/C25H37NO3/c1-21-19-23(14-15-24(21)27)25(28)20-26-16-8-2-3-9-17-29-18-10-7-13-22-11-5-4-6-12-22/h4-6,11-12,14-15,19,25-28H,2-3,7-10,13,16-18,20H2,1H3 |
| InChI Key | CRLOZJFZHGTJNG-UHFFFAOYSA-N |
| MDL Number | MFCD27967195 |
| Molecular Formula | C25H37NO3 |
| Molecular Weight | 399.5662 |
| SMILES | Cc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2 |
| Synonyms | 3-De(hydroxymethyl)-3-methyl Salmeterol,
1391054-40-2,
4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylphenol,
(1RS)-1-(4-Hydroxy-3-methylphenyl)-2-((6-(4-phenylbutoxy)hexyl)amino)ethanol,
(1RS)-1-(4-Hydroxy-3-methylphenyl)-2-[[6-(4-phenylbutoxy)hexyl]amino]ethanol,
Salmeterol EP Impurity F,
Salmeterol xinafoate specified impurity F [EP],
Salmeterol xinafoate, salmeterol-deoxy- [USP],
3-De(hydroxymethyl)-3-methyl salmeterol, (+/-)-,
Benzenemethanol, 4-hydroxy-3-methyl-alpha-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-,
J-007227,
4-Hydroxy-3-methyl-|A-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-1-benzenemethanol,
UNII-0GXZ949COY,
0GXZ949COY,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.575g/mol |
| Monoisotopic Mass | 399.277g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number