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PNU-282,987

CAT: 0024-sc-200187Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-200187Size:10 mg
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CAS Number
123464-89-1

Chemical Information

Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)

PNU-282987 is a potent alpha7 nicotinic acetylcholine receptor (nAChR) agonist. PNU-282987 is also a functional antagonist of the 5-HT3 receptor. PNU-282987 can be used for the research of central and peripheral nervous systems.

CAS Number123464-89-1
PubChem CID11243536
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide;hydrochloride
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity307
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=CC=C(C=C3)Cl.Cl
InChI
InChI=1S/C14H17ClN2O.ClH/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17;/h1-4,10,13H,5-9H2,(H,16,18);1H/t13-;/m0./s1
InChIKey
HSEQUIRZHDYOIX-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CAS: 123464-89-1
CID: 11243536
Formula: C14H18Cl2N2O
MW: 301.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass300.0796186
Monoisotopic Mass300.0796186
Topological Polar Surface Area32.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-W738478AOI 987
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