| CAS Number | 50293-91-9 |
| Catalog Number | AG00DDLI(AGN-PC-0S7KHU) |
| Chemical Name | (S)-Albuterol Hydrochloride |
| IUPAC Name | 4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;hydrochloride |
| InChI | InChI=1S/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H/t12-;/m1./s1 |
| InChI Key | OWNWYCOLFIFTLK-UTONKHPSSA-N |
| MDL Number | MFCD01631118 |
| Molecular Formula | C13H22ClNO3 |
| Molecular Weight | 275.7717 |
| SMILES | Cl.CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1 |
| Synonyms | (S)-Albuterol Hydrochloride,
50293-91-9,
C13H21NO3.HCl,
(S)-Salbutamol Hydrochloride,
(+)-Salbutamol Hydrochloride,
FT-0661466,
Z6159,
UNII-P12862PDAK component OWNWYCOLFIFTLK-UTONKHPSSA-N,
(|A1S)-|A1-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol Hydrochloride,
R-albuterol hydrochloride,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.773g/mol |
| Monoisotopic Mass | 275.129g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number