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SKF-89976A hydrochloride

CAT: 1410-M16199-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16199-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective and GABA transporter 1 (GAT1) inhibitor with IC50 of 0.13 uM for hGAT1.
CAS Number
85375-15-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
371.9003
Molecular Formula
C22H26ClNO2
Notes
Research use only, not for human use.
Receptor
GAT

Chemical Information

1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CAS Number85375-15-1
PubChem CID6917797
IUPAC Name1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid;hydrochloride
Molecular FormulaC22H26ClNO2
Molecular Weight371.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity427
SMILES
C1CC(CN(C1)CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.Cl
InChI
InChI=1S/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H
InChIKey
SNGGBKYQZVAQKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CAS: 85375-15-1
CID: 6917797
Formula: C22H26ClNO2
MW: 371.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass371.1652068
Monoisotopic Mass371.1652068
Topological Polar Surface Area40.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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