| CAS Number | 43197-33-7 |
| Catalog Number | AG00DJHR(AGN-PC-0WP0EU) |
| Chemical Name | (2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid |
| IUPAC Name | (2S)-3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid |
| InChI | InChI=1S/C10H13BrN2O4/c1-10(13-12,9(16)17)4-5-2-7(14)8(15)3-6(5)11/h2-3,13-15H,4,12H2,1H3,(H,16,17)/t10-/m0/s1 |
| InChI Key | ZIBONFZRHFUWIX-JTQLQIEISA-N |
| Molecular Formula | C10H13BrN2O4 |
| Molecular Weight | 305.1252 |
| SMILES | C[C@](C(O)=O)(NN)CC1=C(Br)C=C(O)C(O)=C1 |
| Synonyms | 43197-33-7,
2-Bromo (S)-Carbidopa,
Carbidopa, 6-bromo,
UNII-0O6NJX3L6R,
0O6NJX3L6R,
ZINC65734968,
(2S)-3-(2-Bromo-4,5-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid,
Benzenepropanoic acid, 2-bromo-alpha-hydrazino-4,5-dihydroxy-alpha-methyl-, (S)-,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.128g/mol |
| Monoisotopic Mass | 304.006g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number