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Gallein

CAT: 0024-sc-202631Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202631Size:50 mg
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CAS Number
2103-64-2

Chemical Information

Gallein

Gallein is a xanthene dye that is fluoran carrying four hydroxy substituents at positions 3', 4', 5' and 6'. It has a role as a fluorochrome, a histological dye and a G-protein-coupled receptor antagonist. It is a polyphenol, a gamma-lactone, a xanthene dye, an oxaspiro compound, an organic heteropentacyclic compound and a member of 2-benzofurans. It is functionally related to a fluoran.

CAS Number2103-64-2
PubChem CID73685
IUPAC Name3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H12O7
Molecular Weight364.3
XLogP2.7
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity579
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O
InChI
InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
InChIKey
PHLYOKFVXIVOJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gallein
CAS: 2103-64-2
CID: 73685
Formula: C20H12O7
MW: 364.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.3
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass364.05830272
Monoisotopic Mass364.05830272
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity579
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

CatalogName
MBS578131Gallein
A22304-50Gallein 50mg
A22304-100Gallein 100mg
A22304-5Gallein 5mg
HY-D0254R-01Gallein (Standard)
A22304-25Gallein 25mg

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