Aceclidine Hydrochloride

CAT: 0024-sc-210735ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-210735ASize:5 g

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CAS Number

6109-70-2

Chemical Information

1-Azabicyclo(2.2.2)octan-3-ol, 3-acetate, hydrochloride (1:1)

CAS Number	6109-70-2
PubChem CID	170367
IUPAC Name	1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride
Molecular Formula	C9H16ClNO2
Molecular Weight	205.68
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	185

SMILES

CC(=O)OC1CN2CCC1CC2.Cl

InChI

InChI=1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H

InChIKey

LWWSARSTZGNKGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6109-70-2

CID: 170367

Formula: C9H16ClNO2

MW: 205.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.68
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.0869564
Monoisotopic Mass	205.0869564
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
C4635-500	Aceclidine (hydrochloride)
462520	Aceclidine Hydrochloride
HY-32067AS	Aceclidine-d3 (hydrochloride)
MBS6088649-01	Aceclidine, Hydrochloride (3-Acetyloxy-1-azabicyclo[2,2,2]octane, Hydrochloride)
BA5506-500	Aceclidine
571497	Aceclidine free base
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