| CAS Number | 52514-63-3 |
| Catalog Number | AG01E4NK(AGN-PC-0SCYRD) |
| Chemical Name | Carbidopa Methyl Ester |
| IUPAC Name | methyl (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate |
| InChI | InChI=1S/C11H16N2O4/c1-11(13-12,10(16)17-2)6-7-3-4-8(14)9(15)5-7/h3-5,13-15H,6,12H2,1-2H3/t11-/m0/s1 |
| InChI Key | IETYBXLXKYRFEN-NSHDSACASA-N |
| MDL Number | MFCD28898971 |
| Molecular Formula | C11H16N2O4 |
| Molecular Weight | 240.2557 |
| SMILES | COC(=O)C(C)(Cc1ccc(O)c(O)c1)NN |
| Synonyms | 52514-63-3,
SCHEMBL15948349,
ZINC34100754,
methyl (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate,
Methyl (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoate (Carbidopa Methyl Ester),
Carbidopa EP Impurity E,
CS-T-50258,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.259g/mol |
| Monoisotopic Mass | 240.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number