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BTB01303

CAT: 0013-GTR19236301-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236301-01Size:50 mg
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Description
BTB01303 is a small molecule inhibitor of glutamate release, targeting the excessive glutamate secreted by cancer cells that disrupts bone homeostasis and drives cancer-induced bone pain. It is a research tool for investigating pain mechanisms and potential analgesic strategies in both in vitro and in vivo models of bone metastasis.
CAS Number
652129-89-0
Field of Research
Neuroscience
Smiles
N (=CC1=C (O) C (Cl) =CC (Cl) =C1) C=2C=C3C (=CC2) OCOC3
Molecular Formula
C15H11Cl2NO3
Molecular Weight
324.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
CAS Number652129-89-0
PubChem CID2796758
IUPAC Name2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.2
XLogP3.6
Topological Polar Surface Area51.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity382
SMILES
C1C2=C(C=CC(=C2)N=CC3=C(C(=CC(=C3)Cl)Cl)O)OCO1
InChI
InChI=1S/C15H11Cl2NO3/c16-11-3-9(15(19)13(17)5-11)6-18-12-1-2-14-10(4-12)7-20-8-21-14/h1-6,19H,7-8H2
InChIKey
VDRJYIIXTNQGDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4H-1,3-benzodioxin-6-yliminomethyl)-4,6-dichlorophenol
CAS: 652129-89-0
CID: 2796758
Formula: C15H11Cl2NO3
MW: 324.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.2
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass323.0115986
Monoisotopic Mass323.0115986
Topological Polar Surface Area51.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity382
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

Alternative Products

CatalogName
T85920-01BTB01303

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