Dopamine 3-O-Sulfate - CAS 51317-41-0

Catalog:	BB063167
Product Name:	Dopamine 3-O-Sulfate
CAS:	51317-41-0
Synonyms:	4-(2-Aminoethyl)-1,2-benzenediol 2-(Hydrogen Sulfate); Dopamine 3-Sulfate; Dopamine Sulfate

Technical Data

IUPAC Name:	[5-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate
Description:	Dopamine 3-O-Sulfate, is a metabolite of Dopamine (D533780), that has been shown to have the hypotensive effects in anesthetized rats.
Molecular Weight:	233.24
Molecular Formula:	C8H11NO5S
Canonical 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)
InChI Key:	NZKRYJGNYPYXJZ-UHFFFAOYSA-N
Melting Point:	>236°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Very Slightly, Heated)
Appearance:	White to Pale Brown Solid
Storage:	-20°C
References:	Minami, M., et al. Biogenic Amines, 11(6), 487 (1995).

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