59-92-7
Product Name:
Levodopa
Formula:
C9H11NO4
Synonyms:
L -3-Hydroxytyrosine;L -DOPA;3-(3,4-Dihydroxyphenyl)-L -alanine;3,4-Dihydroxy-L- phenylalanine;Levodopa
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to white odorless solid; [Merck Index] White crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | Colorless to white crystals or crystalline powder; needles from water |
| Odor | Odorless |
| Taste | Tasteless |
| Boiling Point | 448.4 |
| Melting Point | 295 |
| Solubility | 5mM |
| LogP | 0.05 |
| Stability/Shelf Life | IN PRESENCE OF MOISTURE RAPIDLY OXIDIZED BY ATMOSPHERIC OXYGEN & DARKENS |
| Optical Rotation | Specific optical rotation: -13.1 deg @ 13 °C/D (c= 5.12 in 1 N HCl); max absorption (0.001 N HCl): 220.5 nm (log e= 3.79); 280 nm (log e= 3.42) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | pKa = 2.32 |
| Collision Cross Section | 148.7 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 197.19 g/mol |
|---|---|
| XLogP3 | -2.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 197.06880783 g/mol |
| Monoisotopic Mass | 197.06880783 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 209 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
L-dopa is an optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease It has a role as a prodrug, a hapten, a neurotoxin, an antiparkinson drug, a dopaminergic agent, an antidyskinesia agent, an allelochemical, a plant growth retardant, a human metabolite, a mouse metabolite and a plant metabolite. It is a dopa, a L-tyrosine derivative and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a L-dopa(1-). It is an enantiomer of a D-dopa. It is a tautomer of a L-dopa zwitterion.