levodopa
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IUPAC name :(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
InChI :InChI=1/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
InChIKey :WTDRDQBEARUVNC-LURJTMIEBA
SMILES :C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
cas number :59-92-7
(EINECS) number :200-445-2
beilstein number :2215169
molar refractivity :49.25 ± 0.3 cm3
parachor :401.8 ± 4.0 cm3
index of refraction :1.654 ± 0.02
surface tension :80.2 ± 3.0 dyne/cm
density :1.468 ± 0.06 g/cm3
polarizability :19.52 ± 0.5 10-24cm3
XlogP : -1.80
molecular weight : 197.1879400 (IUPAC)
formula :C9 H11 N O4
BioActivity Analysis :555833
NMR Predictor :Predict
 
 
export tariff code :2922.50.4000
fda reg :unspecified

Suppliers :
Ajinomoto :LEVODOPA
USP, EP
Jiangyin Healthway :Levodopa

organoleptics :

properties :
appearence :white powder
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 281.00 to 285.00 °C. @ 760.00 mm Hg
boiling point : 447.00 to 449.00 °C. @ 760.00 mm Hg
flash point : 437.00  °F.  TCC  ( 225.00 °C. )
logP (o/w) : -0.23

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  intravenous-Mouse    450.00  mg/kg

Oral-Mouse    2363.00  mg/kg

Oral-Rabbit    609.00  mg/kg

Intraperitoneal-Rat    624.00  mg/kg

intravenous-Rat    >100.00  mg/kg

Oral-Rat    1780.00  mg/kg

Dermal Toxicity(LD50) :
  Subcutaneous-Mouse  4449.00  mg/kg

Subcutaneous-Rat  2000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
ClinicalTrials.gov :search
Daily Med :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
(EINECS) number :200-445-2
RTECS :AY5600000 for cas# 59-92-7
chemidplus :000059927
EPA Substance Registry Services :59-92-7
dtp/nci :118381

references :
 
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
pubchem :148922

other :
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
synonyms :
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
3,4-dihydroxy-laevo-phenyl alanine
laevo-3,4-dihydroxyphenyl alanine
3,4-dihydroxyphenyl-laevo-alanine
laevo-3-(3,4-dihydroxyphenyl) alanine
laevo-beta-(3,4-dihydroxyphenyl)-alpha-alanine
beta-(3,4-dihydroxyphenyl)-laevo-alanine
laevo-dopa
3-hydroxy-laevo-tyrosine

soluble in :
 water, 5000 mg/L @ 20C

natural occurrence in :
 found in nature  



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