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Dopamine 3-O-Sulfate

CAT: 1459-CS-T-21319Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-21319Size:1 Each
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Description
Dopamine 3-O-Sulfate is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Dopamine. The product is supplied by Clearsynth under CAT No. CS-T-21319. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
51317-41-0
Synonyms
Dopamine 3-O-Sulfate
Molecular Formula
C 8 H 11 NO 5 S
Molecular Weight
233.2
Additionnal Information
Dopamine 3-O-Sulfate is supplied with detailed characterization data compliant with regulatory guideline. Dopamine 3-O-Sulfate can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Dopamine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Dopamine 3-O-sulfate

Dopamine 3-O-sulfate is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a member of phenols, an aryl sulfate and a primary amino compound. It is functionally related to a dopamine. It is a tautomer of a dopamine 3-O-sulfate zwitterion.

CAS Number51317-41-0
PubChem CID122136
IUPAC Name[5-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate
Molecular FormulaC8H11NO5S
Molecular Weight233.24
XLogP-3
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity286
SMILES
C1=CC(=C(C=C1CCN)OS(=O)(=O)O)O
InChI
InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
InChIKey
NZKRYJGNYPYXJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dopamine 3-O-sulfate
CAS: 51317-41-0
CID: 122136
Formula: C8H11NO5S
MW: 233.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.24
XLogP3-3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass233.03579362
Monoisotopic Mass233.03579362
Topological Polar Surface Area118 Ų
Heavy Atom Count15
Formal Charge0
Complexity286
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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