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Levophencynonate HCl

CAT: 0013-GTR19198992-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198992-02Size:50 mg
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Description
Levophencynonate hydrochloride is a selective muscarinic acetylcholine receptor antagonist. It is utilized in pharmacological research to study cholinergic signaling and has been applied in both in vitro binding assays and in vivo models investigating autonomic nervous system function.
CAS Number
861655-73-4
Field of Research
Metabolism Research
Smiles
Cl.[H][C@]12CCC[C@] ([H]) (CN (C) C1) [C@H]2OC (=O) [C@@] (O) (C1CCCC1) c1ccccc1 |@@:18, TLB:10:9:12:5.4.3|
Molecular Formula
C22H32ClNO3
Molecular Weight
393.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Levophencynonate hydrochloride
CAS Number861655-73-4
PubChem CID70675843
IUPAC Name[(1S,5R)-3-methyl-3-azabicyclo[3.3.1]nonan-9-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
Molecular FormulaC22H32ClNO3
Molecular Weight393.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity484
SMILES
CN1C[C@H]2CCC[C@@H](C1)C2OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O.Cl
InChI
InChI=1S/C22H31NO3.ClH/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18;/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3;1H/t16-,17+,20?,22-;/m0./s1
InChIKey
AUKYHFFECJXLHI-FMTMECAPSA-N
Chemical Structure
2D Structure
2D structure of Levophencynonate hydrochloride
CAS: 861655-73-4
CID: 70675843
Formula: C22H32ClNO3
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass393.2070716
Monoisotopic Mass393.2070716
Topological Polar Surface Area49.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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