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Pentoxyverine

CAT: 0013-GTR19202035-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202035-05Size:100 mg
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Description
Pentoxyverine (Carbetapentan) is an orally active antitussive agent that functions as a muscarinic M1 receptor antagonist and a σ1 receptor agonist, leading to alveolar relaxation. It is utilized in respiratory research to investigate cough reflex mechanisms and receptor pharmacology in both in vitro and in vivo experimental models.
CAS Number
77-23-6
Product Name Alternative
Pentoxyverine, Carbetapentane
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
97.11% (May vary between batches)
Solubility
DMSO:200 mg/mL (599.75 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (14.99 mM)
Smiles
O=C (OCCOCCN (CC) CC) C1 (C=2C=CC=CC2) CCCC1
Molecular Formula
C20H31NO3
Molecular Weight
333.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carbetapentane

1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester is a member of benzenes.

CAS Number77-23-6
PubChem CID2562
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
Molecular FormulaC20H31NO3
Molecular Weight333.5
XLogP3.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity356
SMILES
CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
InChIKey
CFJMRBQWBDQYMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbetapentane
CAS: 77-23-6
CID: 2562
Formula: C20H31NO3
MW: 333.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass333.23039385
Monoisotopic Mass333.23039385
Topological Polar Surface Area38.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity356
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

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