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DOPAL

CAT: 0013-GTR19190555-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190555-01Size:5 mg
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Description
DOPAL is a neurotoxic metabolite of dopamine oxidation, implicated in Parkinson's disease pathology by inducing α-synuclein aggregation. It is used in research models to study neurodegeneration mechanisms, with applications in both in vitro protein aggregation assays and in vivo studies of motor dysfunction.
CAS Number
5707-55-1
Field of Research
Immunology & Inflammation, Metabolism Research, Signal Transduction
Smiles
O=CCC1=CC=C (O) C (O) =C1
Molecular Formula
C8H8O3
Molecular Weight
152.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3,4-Dihydroxyphenyl)acetaldehyde

3,4-dihydroxyphenylacetaldehyde is a phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of phenylacetaldehydes, a member of catechols and an alpha-CH2-containing aldehyde.

CAS Number5707-55-1
PubChem CID119219
IUPAC Name2-(3,4-dihydroxyphenyl)acetaldehyde
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity135
SMILES
C1=CC(=C(C=C1CC=O)O)O
InChI
InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
InChIKey
IADQVXRMSNIUEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3,4-Dihydroxyphenyl)acetaldehyde
CAS: 5707-55-1
CID: 119219
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity135
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-500914Dopal
CS-O-15473Dopal-d5
TRC-D533885-50MGDopal (>80%)
163954-01Dopal discontinued
HY-121252ADopal (purity>80%)
D8999-01L-DOPA (Levodopa, L-dihydroxyphenylalanine, L-3-Hydroxytyrosine, 3-Hydroxy-L-tyrosine, (-) -3- (3,4-Dihydroxyphenyl) -L-alanine, Bendopa, Deadopa, Dopaflex, Dopal, Dopaidan, Dopalina, Dopar) discontinued. See 271132
D8999-02L-DOPA-2,5,6-d3 (Levodopd3, L-3-Hydroxytyrosine-d3, 3-Hydroxy-L-tyrosine-d3, (-) -3- (3,4-Dihydroxyphenyl-2,5,6-d3) -L-alanine, Bendopa-d3, Deadopa-d3, Dopaflex-d3, Dopal-d3, Dopaidan-d3, Dopalina-d3, Dopar-d3)
MBS6114997-01L-DOPA-2,5,6-d3 (Levodopd3, L-3-Hydroxytyrosine-d3, 3-Hydroxy-L-tyrosine-d3, (-)-3-(3,4-Dihydroxyphenyl-2,5,6-d3)-L-alanine, Bendopa-d3, Deadopa-d3, Dopaflex-d3, Dopal-d3, Dopaidan-d3, Dopalina-d3, Dopar-d3)

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