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38339-02-5

38339-02-5 structural image
Product Name: dopamine 4-O-sulfate
Formula: C8H11NO5S
Synonyms: 3-Hydroxytyramine-4-O-sulfate;Dopamine 4-O-sulfate;Dopamine sulfate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 265 - 270.5 °C

SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 233.24 g/mol
XLogP3 -2.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 233.03579362 g/mol
Monoisotopic Mass 233.03579362 g/mol
Topological Polar Surface Area 118 Ų
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

PRODUCT INTRODUCTION

description

Dopamine 4-O-sulfate is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group.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 blood serum metabolite and a human urinary metabolite. It is an aryl sulfate, a member of phenols and a primary amino compound. It is functionally related to a dopamine. It is a tautomer of a dopamine 4-O-sulfate zwitterion.

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