| CAS Number | 85933-19-3 |
| Catalog Number | AG00GXZ2(AGN-PC-0WAG0O) |
| Chemical Name | 3-O-Methyl Carbidopa |
| IUPAC Name | 2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C11H16N2O4/c1-11(13-12,10(15)16)6-7-3-4-8(14)9(5-7)17-2/h3-5,13-14H,6,12H2,1-2H3,(H,15,16) |
| InChI Key | CZEXQBQCMOVXGP-UHFFFAOYSA-N |
| MDL Number | MFCD26142862 |
| Molecular Formula | C11H16N2O4 |
| Molecular Weight | 240.2557 |
| SMILES | COc1cc(CC(C)(NN)C(=O)O)ccc1O |
| Synonyms | 85933-19-3,
2-hydrazinyl-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid,
3-O-Methyl Carbidopa,
AC1MI8QK,
Carbidopa Related Compound A,
SCHEMBL8407218,
CTK9A5487,
CZEXQBQCMOVXGP-UHFFFAOYSA-N,
AKOS027307564,
FT-0671630,
2-hydrazino-2 -methyl-3-(4-hydroxy-3-methoxyphenyl)propionic acid,
2-hydrazino-2-methyl-3-(4-hydroxy-3-methoxyphenyl)propionic acid,
Carbidopa Related Compound A, United States Pharmacopeia (USP) Reference Standard,
(RS)-2-Hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic Acid ((RS)-3-O-Methylcarbidopa),
3-O-Methylcarbidopa,
CID3019911,
|A-Hydrazino-4-hydroxy-3-methoxy-|A-methylhydrocinnamic Acid,
|A-Hydrazino-4-hydroxy-3-methoxy-|A-methylbenzenepropanoic Acid,
(S)-2-Hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number