Methyldopa

Base Information

• Chemical Name: Methyldopa
• CAS No.: 41372-08-1
• Deprecated CAS: 133161-54-3,1339-75-9,4290-08-8,88620-56-8,779-08-8,1339-75-9,4290-08-8,779-08-8
• Molecular Formula: C10H13NO4^.1.5(H2O)
• Molecular Weight: 229.23000
• Hs Code.: 2922504500
• European Community (EC) Number: 209-089-2
• NSC Number: 760080
• UNII: M4R0H12F6M
• DSSTox Substance ID: DTXSID5023295
• Nikkaji Number: J9.247I
• Wikipedia: Methyldopa
• Wikidata: Q412621
• NCI Thesaurus Code: C175729
• RXCUI: 1545996
• Pharos Ligand ID: KDTN5WVPYYLW
• Metabolomics Workbench ID: 41522
• ChEMBL ID: CHEMBL459
• Mol file: 41372-08-1.mol

Synonyms:Aldomet;alpha Methyl L Dopa;alpha Methyldopa;alpha-Methyl-L-Dopa;alpha-Methyldopa;Alphamethyldopa;Apo Methyldopa;Apo-Methyldopa;Dopamet;Dopegit;Dopegyt;Dopergit;Hydopa;Meldopa;Methyldopa;Methyldopate;Nu Medopa;Nu-Medopa;Sembrina

Chemical Property of Methyldopa

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 1.41E-08mmHg at 25°C
• Melting Point: >300°C(lit.)
• Boiling Point: 441.6 °C at 760 mmHg
• Flash Point: 220.9 °C
• PSA: 113.01000
• LogP: 1.07830
• Storage Temp.: Refrigerator
• Sensitive.: Air & Light Sensitive
• Solubility.: Slightly soluble in water, very slightly soluble in ethanol (96 per cent). It is freely soluble in dilute mineral acids.
• Water Solubility.: 0.1-1 g/100 mL at 23 ºC
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.08445790
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

L-α-MethylDOPAHydrate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21-36/37/38-42/43-65
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Pharmaceuticals
• Drug Classes: Antihypertensive Agents
• Canonical SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
• Isomeric SMILES: C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N
• Recent ClinicalTrials: Effect of Methyldopa on MHC Class II Antigen Presentation in Type 1 Diabetes
• Uses: Potent inhibitor of invertase and glucosidase inhibitor with a different specificity of action to DNJ and castanospermine. Inhibits glucosidase I. Antihypertensive agent.