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Adiphenine hydrochloride

CAT: 0013-GTR19176499-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176499-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adiphenine hydrochloride is a nicotinic acetylcholine receptor antagonist utilized as an antispasmodic agent. It is employed in pharmacological research to investigate cholinergic signaling and smooth muscle contraction in both in vitro and ex vivo experimental models.
CAS Number
50-42-0
Product Name Alternative
Sentiv, Spasnil, inhibit, local, nicotinic, Nicotinic acetylcholine receptors, Nicotinic Receptor, Patrovina, nAChR, Inhibitor, anesthetic, Adiphenine, Adiphenine HCl, Adiphenine hydrochloride, Adiphenine Hydrochloride, acetylcholine
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.76% (May vary between batches)
Solubility
H2O:64 mg/mL (183.97 mM) ; DMSO:50 mg/mL (143.73 mM) ; Ethanol:15 mg/mL (43.12 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2.5 mg/mL (7.19 mM)
Smiles
O=C (OCCN (CC) CC) C (C1=CC=CC=C1) C2=CC=CC=C2.[H]Cl
Molecular Formula
C20H25NO2·HCl
Molecular Weight
347.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adiphenine Hydrochloride

See also: Adiphenine (has active moiety).

CAS Number50-42-0
PubChem CID5763
IUPAC Name2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
Molecular FormulaC20H26ClNO2
Molecular Weight347.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity311
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
InChI
InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKey
LKPINBXAWIMZCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adiphenine Hydrochloride
CAS: 50-42-0
CID: 5763
Formula: C20H26ClNO2
MW: 347.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass347.1652068
Monoisotopic Mass347.1652068
Topological Polar Surface Area29.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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