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Tyramine O-sulfate

CAT: 0013-GTR19267315-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19267315-01Size:50 mg
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Description
TyramineO-sulfate (Tyramine sulfate) is a metabolite of Tyramine found in urine and can serve as a marker for depression.
CAS Number
30223-92-8
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=S (=O) (O) OC1=CC=C (C=C1) CCN
Molecular Formula
C8H11NO4S
Molecular Weight
217.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tyramine sulfate

Tyramine sulfate is an aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group. It has a role as a human xenobiotic metabolite and a human urinary metabolite. It is an aryl sulfate and a primary amino compound. It is functionally related to a tyramine. It is a tautomer of a tyramine sulfate zwitterion.

CAS Number30223-92-8
PubChem CID153005
IUPAC Name[4-(2-aminoethyl)phenyl] hydrogen sulfate
Molecular FormulaC8H11NO4S
Molecular Weight217.24
XLogP-2
Topological Polar Surface Area98
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity251
SMILES
C1=CC(=CC=C1CCN)OS(=O)(=O)O
InChI
InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)
InChIKey
DYDUXGMDSXJQFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tyramine sulfate
CAS: 30223-92-8
CID: 153005
Formula: C8H11NO4S
MW: 217.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.24
XLogP3-2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass217.04087901
Monoisotopic Mass217.04087901
Topological Polar Surface Area98 Ų
Heavy Atom Count14
Formal Charge0
Complexity251
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

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TYD-02968-01Tyramine O-sulfate
HY-156836A-01Tyramine O-sulfate (sodium)
AR-T03173-013-Methoxy Tyramine Sulfate
AR-T06231-013-Methoxy Tyramine-d4 Sulfate
AR-T06232-013-Methoxy Tyramine-13C-d3 Sulfate
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