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Benzetimide hydrochloride

CAT: 0013-GTR19166485-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166485-01Size:1 ml x 10 mM (in DMSO)
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Description
Benzetimide hydrochloride
CAS Number
5633-14-7
Product Name Alternative
Benzetimide, Benzetimide hydrochloride, Benzetimide Hydrochloride, AChR, mAChR, inhibit, Inhibitor, Muscarinic acetylcholine receptor, R4929, R-4929, R 4929
Field of Research
Neuroscience
Purity
98.00% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.01 mM) ; DMSO:32 mg/mL (80.21 mM)
Smiles
Cl.O=C1CCC (C2CCN (Cc3ccccc3) CC2) (C (=O) N1) c1ccccc1
Molecular Formula
C23H27ClN2O2
Molecular Weight
398.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzetimide Hydrochloride

See also: Benzetimide (has active moiety).

CAS Number5633-14-7
PubChem CID21846
IUPAC Name3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione;hydrochloride
Molecular FormulaC23H27ClN2O2
Molecular Weight398.9
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity528
SMILES
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl
InChI
InChI=1S/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H
InChIKey
XSOOSXRNMDUWEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzetimide Hydrochloride
CAS: 5633-14-7
CID: 21846
Formula: C23H27ClN2O2
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass398.1761058
Monoisotopic Mass398.1761058
Topological Polar Surface Area49.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity528
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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Alternative Products

CatalogName
sc-503338Benzetimide Hydrochloride
HY-B1547A-01Benzetimide (hydrochloride)
A22589-200Benzetimide hydrochloride 200mg
AR-B01293-01Benzetimide-d5 Hydrochloride
HY-B1547AR-01Benzetimide (hydrochloride) (Standard)
A22589-25Benzetimide hydrochloride 25mg
A22589-10Benzetimide hydrochloride 10mg
A22589-100Benzetimide hydrochloride 100mg
A22589-50Benzetimide hydrochloride 50mg
A22589-10mM-DBenzetimide hydrochloride 10mM * 1mL in DMSO

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