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Tolgabide

CAT: 0013-GTR19242449-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242449-01Size:10 mg
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Description
Tolgabide is a gabamimetic research compound exhibiting antiepileptic, anticonvulsant, and anti-dyskinetic properties. It is utilized in neuroscience research for studying GABAergic mechanisms in both in vitro receptor assays and in vivo models of seizure and movement disorders.
CAS Number
86914-11-6
Smiles
O=C (N) CCCN=C (C1=CC=C (Cl) C=C1) C2=CC (Cl) =CC (=C2O) C
Molecular Formula
C18H18Cl2N2O2
Molecular Weight
365.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tolgabide
CAS Number86914-11-6
PubChem CID3086240
IUPAC Name4-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]butanamide
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.2
XLogP3.9
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity450
SMILES
CC1=CC(=CC(=C1O)C(=NCCCC(=O)N)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O2/c1-11-9-14(20)10-15(18(11)24)17(22-8-2-3-16(21)23)12-4-6-13(19)7-5-12/h4-7,9-10,24H,2-3,8H2,1H3,(H2,21,23)
InChIKey
AOAFGVWKONLQRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolgabide
CAS: 86914-11-6
CID: 3086240
Formula: C18H18Cl2N2O2
MW: 365.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.2
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass364.0745332
Monoisotopic Mass364.0745332
Topological Polar Surface Area75.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity450
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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