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Dopamine 3-O-sulfate

Dopamine 3-O-sulfate structure

CAS No:
51317-41-0
Formula:
C8H11NO5S
Chemical Name:
Dopamine 3-O-sulfate
Synonyms:
1,2-Benzenediol,4-(2-aminoethyl)-,2-(hydrogen sulfate);Pyrocatechol,4-(2-aminoethyl)-,2-(hydrogen sulfate);Dopamine 3-O-sulfate;Dopamine 3-sulfate;Dopamine sulfate;[5-(2-Aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid
Categories:
Organic Chemistry > Amides

Description

Solid

Dopamine 3-O-sulfate is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group.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

Dopamine 3-O-sulfate Basic Attributes

Molecular Weight：

233.238

Exact Mass：

233.24

DSSTox ID：

DTXSID40199321

Characteristics

PSA：

118

XLogP3：

-3

Appearance：

Solid

Density：

1.550±0.06 g/cm3(Predicted)

Melting Point：

268-270 °C

Drug Information

Metabolism/Metabolites：

Dopamine 3-O-sulfate is a known human metabolite of Dopamine.

MeSH Entry Terms：

dopamine 3-O-sulfate

Computed Properties

Molecular Weight:233.24
XLogP3:-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
Heavy Atom Count:15
Complexity:286
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes