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Aprofene

CAT: 0013-GTR19224569-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224569-03Size:100 mg
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Description
Aprofene is a dual muscarinic and nicotinic acetylcholine receptor antagonist. Its research applications include studies on gastrointestinal disorders like peptic ulcers and spastic colitis, as well as inflammatory conditions such as cholecystitis and endarteritis, explored in both in vitro and in vivo experimental models.
CAS Number
3563-01-7
Field of Research
Neuroscience
Smiles
O=C (OCCN (CC) CC) C (C=1C=CC=CC1) (C=2C=CC=CC2) C
Molecular Formula
C21H27NO2
Molecular Weight
325.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aprofene

RN given refers to parent cpd; structure

CAS Number3563-01-7
PubChem CID71128
IUPAC Name2-(diethylamino)ethyl 2,2-diphenylpropanoate
Molecular FormulaC21H27NO2
Molecular Weight325.4
XLogP3.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity348
SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
InChIKey
DIDYGLSKVUKRRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aprofene
CAS: 3563-01-7
CID: 71128
Formula: C21H27NO2
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass325.204179104
Monoisotopic Mass325.204179104
Topological Polar Surface Area29.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity348
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

Alternative Products

CatalogName
T25104-01Aprofene
MBS5812120Aprofene hydrochloride

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