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Dopaminechrome

CAT: 0931-T204340-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T204340-02Size:50 mg
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CAS Number
39984-17-3
Target
Drug Metabolite, Mitochondrial Metabolism
Related Pathways
Metabolism
Bioactivity
Dopaminechrome (DACHR) is an oxidation product of dopamine that promotes the generation of H2O2 at mitochondrial complex I in the brain in a concentration- and respiration-dependent manner. It possesses neurotoxic properties and can be utilized in Parkinson's disease research.
Smiles
O=C1C=C2C(=NCC2)C=C1O
Molecular Formula
C8H7NO2
Molecular Weight
149.147
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dopaminechrome

Dopaminechrome (keto form) is a member of the class of indoledione that is 2,3,5,6-tetrahydro-1H-indole carrying oxo groups at positions 5 and 6; major microspecies at pH 7.3. It is an endogenous compound formed during dopamine oxidation and can induce neurotoxicity under certain aberrant conditions and induce Parkinson-like syndrome. It has a role as a neurotoxin. It is an indoledione and a member of orthoquinones. It is a tautomer of a dopaminechrome (enol form).

CAS Number39984-17-3
PubChem CID170262
IUPAC Name2,3-dihydro-1H-indole-5,6-dione
Molecular FormulaC8H7NO2
Molecular Weight149.15
XLogP-0.4
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity299
SMILES
C1CNC2=CC(=O)C(=O)C=C21
InChI
InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9H,1-2H2
InChIKey
XDEURYRPQDIBSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dopaminechrome
CAS: 39984-17-3
CID: 170262
Formula: C8H7NO2
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass149.047678466
Monoisotopic Mass149.047678466
Topological Polar Surface Area46.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity299
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

Alternative Products

CatalogName
GTR19250325-01Dopaminechrome
AR-D07546-01Dopamine Impurity 12 (Dopaminechrome)

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