| CAS Number | 115054-62-1 |
| Catalog Number | AG008WRJ(AGN-PC-0P74EZ) |
| Chemical Name | L-a-Methyl DOPA Methyl Ester Hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO4.ClH/c1-11(12,10(15)16-2)6-7-3-4-8(13)9(14)5-7;/h3-5,13-14H,6,12H2,1-2H3;1H/t11-;/m0./s1 |
| InChI Key | OGIAQNHFLNCESH-MERQFXBCSA-N |
| MDL Number | MFCD19105335 |
| Molecular Formula | C11H16ClNO4 |
| Molecular Weight | 261.7020 |
| SMILES | Cl.COC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 |
| Synonyms | 115054-62-1,
L-|A-Methyl DOPA Methyl Ester Hydrochloride,
(-)-Methyldopa Hydrate,
(S)-|A-Methyldopa Hydrate,
L-|A-Methyl DOPA Hydrate,
(-)-|A-Methyldopa Hydrate,
DTXSID10544521,
3-Hydroxy-|A-methyl-L-tyrosine Hydrate,
FT-0671719,
3-Hydroxy-|A-methyl-L-tyrosine Methyl Ester Hydrochloride,
Methyl 3-hydroxy-alpha-methyl-L-tyrosinate--hydrogen chloride (1/1),
METHYL (2S)-2-AMINO-3-(3,4-DIHYDROXYPHENYL)-2-METHYLPROPANOATE HYDROCHLORIDE,
methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate;hydrochloride,
Methyl (2S)-2-Amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate Hydrochloride (Methyldopa Methyl Ester Hydrochloride),
L-a-Methyl DOPA Methyl Ester Hydrochloride,
|A-Methyl-L-3,4-dihydroxyphenylalanine Hydrate,
41372-08-1,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.702g/mol |
| Monoisotopic Mass | 261.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number