3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine

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3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine Basic information
Product Name:3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine
Synonyms:L-Dopa-2,5,6-d3 [3-(3,4-dihydroxyphenyl-2,5,6-d3)-L-alanine];L-DOPA-RING-D3, 98+ ATOM % D;3-Hydroxy-L-tyrosine-d3;Bendopa-d3;Deadopa-d3;Dopaflex-d3;Dopaidan-d3;Dopal-d3
CAS:53587-29-4
MF:C9H8D3NO4
MW:200.21
EINECS:
Product Categories:Amino Acids & Derivatives;Intermediates & Fine Chemicals;Amino Acids 13C, 2H, 15N;Standards - 13C & 2H for GC-Mass Spectrometry;Isotope Labeled Compounds;Isotope Labelled Compounds;Neurochemicals;Pharmaceuticals
Mol File:53587-29-4.mol
3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine Structure
3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine Chemical Properties
Melting point 292 °C (dec.)(lit.)
Boiling point 448.390±45.00 °C(Press: 760.00 Torr)(predicted)
density 1.468±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp. 2-8°C
solubility Aqueous Acid (Sparingly)
form Solid
pka2.240±0.20(predicted)
color White to Off-White
Optical Rotation[α]27/D 11.5°, c = 5 in 1 M HCl
Water Solubility Water: sparingly soluble
Stability:Light Sensitive
InChI1S/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/i1D,2D,4D
InChIKeyWTDRDQBEARUVNC-UOCCHMHCSA-N
SMILES[2H]c1c([2H])c(C[C@H](N)C(O)=O)c([2H])c(O)c1O
CAS DataBase Reference53587-29-4
CAS Number Unlabeled59-92-7
Safety Information
Hazard Codes Xn
Risk Statements 22-36/37/38
Safety Statements 26-36
WGK Germany 3
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine Usage And Synthesis
Chemical PropertiesWhite Solid
UsesL-Dopa-(phenyl-d3) or (3-(3,4-dihydroxyphenyl-2,5,6-d3)-L-alanine) can be used as an internal standard for the quantification of methyldopa in human plasma by LC-MS-MS based method.
UsesNatural isomer of the immediate precursor of dopamine; product of tyrsine hydroxylase
IC 50D3 Receptor
3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine Preparation Products And Raw materials
Tag:3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine(53587-29-4) Related Product Information
3-Methoxy-DL-tyrosine 3,4-Dimethoxy-L-phenylalanine N,N-DIMETHYL-L-PHENYLALANINE LEVODOPA RELATED COMPOUND A (50 MG) (3-(3,4,6-TRIHYDROXYPHENYL)-ALANINE) Lithium carbonate Levodopa 3-(3-Hydroxyphenyl)-DL-alanine Dihydrocaffeic acid PHENOL-OD DL-DOPA L-m-Tyrosine L-Tyrosine-2,6-d2 4-Methyl-d3-catechol 3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine Benzene-d1 PHENOL-3,5-D2 (S)-(-)-CARBIDOPA-D3 H2O (RING-D3) (s)-(-)-Carbidopa-d3