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Substance Name: Dihydroxyphenylalanine
RN: 63-84-3
UNII: QI9C343R60
InChIKey: WTDRDQBEARUVNC-UHFFFAOYSA-N

Note

  • A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.

Molecular Formula

  • C9-H11-N-O4

Molecular Weight

  • 197.1889
 

Classification Codes

  • Dopamine Agents
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • Dihydroxyphenylalanine

MeSH Heading

  • Dihydroxyphenylalanine

Synonyms

  • (+-)-3-(3,4-Dihydroxyphenyl)alanine
  • (+-)-Dopa
  • (R,S)-Dopa
  • 3-Hydroxy-DL-tyrosine
  • AI3-23874
  • DL-3,4-Dopa
  • DL-beta-(3,4-Dihydroxyphenyl)alanine
  • DL-Dihydroxyphenylalanine
  • DL-Dioxyphenylalanine
  • EINECS 200-566-0
  • NSC 16940
  • UNII-QI9C343R60

Systematic Names

  • 3-(3,4-Dihydroxyphenyl)-DL-alanine
  • Alanine, 3-(3,4-dihydroxyphenyl)-, DL-
  • DL-Tyrosine, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 63-84-3

FDA UNII

  • QI9C343R60

System Generated Number

  • 0000063843

Structure Descriptors

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)

InChIKey

WTDRDQBEARUVNC-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C[C@@H](C(O)=O)N)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 270 dec deg C   EXP
pKa Dissociation Constant 2.32 (none) 25 EXP
log P (octanol-water) -2.74E+00 (none)   EXP
Water Solubility 3600 mg/L   EXP
Vapor Pressure 1.24E-10 mm Hg 25 EST
Henry's Law Constant 1.30E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.66E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.