Dopamine 4-O-Sulfate

CAT: 1299-RM-D151628-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D151628-01Size:10 mg

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CAS Number

38339-02-5

Synonyms

[4- (2-aminoethyl) -2-hydroxyphenyl] hydrogen sulfate

Molecular Formula

C8H11NO5S

Molecular Weight

233.24

Target Alternative Name

Dopamine

Product Name Synonym

[4- (2-aminoethyl) -2-hydroxyphenyl] hydrogen sulfate

Chemical Information

dopamine 4-O-sulfate

Dopamine 4-O-sulfate is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.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 4-O-sulfate zwitterion.

CAS Number	38339-02-5
PubChem CID	123932
IUPAC Name	[4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate
Molecular Formula	C8H11NO5S
Molecular Weight	233.24
XLogP	-2.3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	286

SMILES

C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O

InChI

InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)

InChIKey

DEKNNWJXAQTLFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38339-02-5

CID: 123932

Formula: C8H11NO5S

MW: 233.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	233.24
XLogP3	-2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	233.03579362
Monoisotopic Mass	233.03579362
Topological Polar Surface Area	118 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
AR-D07533-01	Dopamine 4-O-Sulfate
TRC-D533847-1MG	Dopamine 4-O-Sulfate-d4
CS-T-21319	Dopamine 3-O-Sulfate
HY-113257-01	Dopamine 4-sulfate
CS-O-58174	Dopamine 3-O-Sulfate-d4
TRC-D533849-10MG	Dopamine 3-O-Sulfate-13C6
262303-01	4-O-Benzyl dopamine

Dopamine 4-O-Sulfate

Chemical Information

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