| CAS Number | 39740-30-2 |
| Catalog Number | AG00C9XQ(AGN-PC-0O9W2A) |
| Chemical Name | Ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride |
| IUPAC Name | ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO4.ClH/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7;/h3-4,6,8,13-14H,2,5,12H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | CVQFXVIIFKVRCK-QRPNPIFTSA-N |
| MDL Number | MFCD24369135 |
| Molecular Formula | C11H16ClNO4 |
| Molecular Weight | 261.7020 |
| SMILES | Cl.N[C@H](C(=O)OCC)CC1=CC(=C(C=C1)O)O |
| Synonyms | 39740-30-2,
L-DOPA Ethyl Ester Hydrochloride,
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate hydrochloride,
Etilevodopa Hydrochloride,
SCHEMBL7291700,
AOB5206,
AKOS030673481,
MCULE-3447482537,
NE45895,
FT-0667774,
Z1691545270,
CVQFXVIIFKVRCK-QRPNPIFTSA-N,
|
| Complexity | 234 |
| 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 | 5 |
| 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