Gallium maltolate

CAT: 0127-BUP13369-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13369-05Size:100 mg

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CAS Number

108560-70-9

Purity

=98%

Smiles

CC1=C2[O-][Ga+3]34([O-]C=5C(=O3)C=COC5C)([O-]C=6C(=O4)C=COC6C)O=C2C=CO1

Chemical Information

Gallium Maltolate

Gallium maltolate is Titan’s novel oral agent in development for the potential treatment of chronic bacterial infections, bone disease and cancer.

CAS Number	108560-70-9
PubChem CID	9846339
IUPAC Name	gallium tris(2-methyl-4-oxopyran-3-olate)
Molecular Formula	C18H15GaO9
Molecular Weight	445.0
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	0
Heavy Atom Count	28
Formal Charge	0
Complexity	200

SMILES

CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].[Ga+3]

InChI

InChI=1S/3C6H6O3.Ga/c3*1-4-6(8)5(7)2-3-9-4;/h3*2-3,8H,1H3;/q;;;+3/p-3

InChIKey

ASYYOZSDALANRF-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 108560-70-9

CID: 9846339

Formula: C18H15GaO9

MW: 445.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	445.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	0
Exact Mass	443.99718
Monoisotopic Mass	443.99718
Topological Polar Surface Area	148 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	200
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	4
Compound Is Canonicalized	Yes