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S-8510 phosphate 5mg

CAT: 0628-A19513-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19513-5Size:5 mg
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CAS Number
151466-23-8

Chemical Information

S-8510

S-8510 / SB-737552 is a BZD inverse agonist investigated for the treatment of Alzheimer’s disease and mild to moderate senile dementia. It was being codeveloped by Shionogi and GlaxoSmithKline.

CAS Number151466-23-8
PubChem CID135409387
IUPAC Name4-(1,2-oxazol-3-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
Molecular FormulaC12H10N4O2
Molecular Weight242.23
XLogP0.3
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity316
SMILES
C1COCC2=C3C(=CN=C21)NC(=N3)C4=NOC=C4
InChI
InChI=1S/C12H10N4O2/c1-3-17-6-7-8(1)13-5-10-11(7)15-12(14-10)9-2-4-18-16-9/h2,4-5H,1,3,6H2,(H,14,15)
InChIKey
ITPFSYAYHHPKRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-8510
CAS: 151466-23-8
CID: 135409387
Formula: C12H10N4O2
MW: 242.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass242.08037557
Monoisotopic Mass242.08037557
Topological Polar Surface Area76.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity316
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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