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SKF 89976A hydrochloride

CAT: 0607-B6589-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6589-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GABA uptake inhibitor
CAS Number
85375-15-1
Product Name Alternative
(R)-1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
Field of Research
Membrane Transporter Ion Channel GABA Receptor
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
Smiles
OC([C@H]1CN(CC/C=C(C2=CC=CC=C2)/C3=CC=CC=C3)CCC1)=O.Cl
Molecular Formula
C22H25NO2·HCl
Molecular Weight
371.91
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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