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LU 2443

CAT: 0013-GTR19240550-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240550-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LU 2443 is an orally bioavailable small molecule antiepileptic compound, demonstrating extensive absorption with approximately 82% bioavailability in rats and a plasma half-life of 13.17 hours. It is a research tool for investigating seizure mechanisms in preclinical in vivo models and related neurological disorders.
CAS Number
19703-86-7
Field of Research
Metabolism Research
Smiles
S=C1[N-][N+] (=C (S1) C=2C=CC=CC2) C
Molecular Formula
C9H8N2S2
Molecular Weight
208.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lu 2443

structure given in first source

CAS Number19703-86-7
PubChem CID161291
IUPAC Name4-methyl-5-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
Molecular FormulaC9H8N2S2
Molecular Weight208.3
XLogP3.2
Topological Polar Surface Area46
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity171
SMILES
C[N+]1=C(SC(=N1)[S-])C2=CC=CC=C2
InChI
InChI=1S/C9H8N2S2/c1-11-8(13-9(12)10-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
KKABNDWCHGAGAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lu 2443
CAS: 19703-86-7
CID: 161291
Formula: C9H8N2S2
MW: 208.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.3
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass208.01289061
Monoisotopic Mass208.01289061
Topological Polar Surface Area46 Ų
Heavy Atom Count13
Formal Charge0
Complexity171
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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