≥98%(CP),≥99 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
3-O-Methyldopa-d3 (3-Methoxy-L-tyrosine-d3) is deuterium labeled 3-O-Methyldopa . 3-O-Methyldopa is a metabolite of L-DOPA which is formed by catechol-O-methyltransferase (COMT). 3-O-Methyldopa competitively inhibits the pharmacodynamics of l-DOPA and dopamine.
| Canonical Smiles | COC1=C(C=CC(=C1)CC(C(=O)O)N)O |
|---|---|
| IUPAC Name | 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid |
| InChIKey | PFDUUKDQEHURQC-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14) |
| Isomeric SMILES | COC1=C(C=CC(=C1)CC(C(=O)O)N)O |
| Alternate CAS | 7636-26-2；300-48-1（unlabelled） |
| NSC Number | 122476 |
| MeSH Entry Terms | 3-methoxydopa;3-methoxytyrosine;3-methoxytyrosine, (D-Tyr)-isomer;3-methoxytyrosine, (DL-Tyr)-isomer;3-methoxytyrosine, (L-Tyr)-isomer;3-methoxytyrosine, (L-Tyr)-isomer, alpha-(14)C-labeled;3-O-methyl-DOPA;3-O-methylDOPA;3-OMD cpd;L-3-methoxytyrosine;L-Ty |
| Molecular Weight | 214.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Tyrosine and derivatives |
| Alternative Parents | Phenylalanine and derivatives Phenylpropanoic acids Alpha amino acids Methoxyphenols Amphetamines and derivatives Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organopnictogen compounds Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | a guaiacol |
| Sensitivity | Hygroscopic |
|---|---|
| Molecular Weight | 211.210 g/mol |
| XLogP3 | -2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 211.084 Da |
| Monoisotopic Mass | 211.084 Da |
| Topological Polar Surface Area | 92.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
