Levodopa

Levodopa

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Catalog Number ACM59927
CAS Number 59-92-7
Structure
Synonyms L-Dihydroxyphenylalanine
IUPAC Name (2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Weight 197.19
Molecular Formula C9H11NO4
Canonical SMILES C1=CC(=C(C=C1CC(C(=O)O)N)O)O
InChI InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChI Key WTDRDQBEARUVNC-LURJTMIESA-N
Boiling Point 334.28 °C
Melting Point 276-278 °C(lit.)
Purity 98%
Density 1.3075 g/cm³
Solubility Slightly soluble in water, dilute hydrochloric acid, formic acid, insoluble in ethanol
Appearance Colorless to white odorless solid
Application Antiparkinson drugs
Storage 2-8 °C
Complexity 209
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 1
Exact Mass 197.06880783
Heavy Atom Count 14
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
Isomeric SMILES C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
Monoisotopic Mass 197.06880783
PhysicalState Crystalline powder
Rotatable Bond Count 3
Topological Polar Surface Area 104 Ų

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