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2D Structure
Also known as: 6109-70-2, Quinuclidin-3-yl acetate hydrochloride, Aceclidine (hydrochloride), Aceclidine hcl, 3-acetoxyquinuclidine hydrochloride, Aceclidine hydochloride
Molecular Formula
C9H16ClNO2
Molecular Weight
205.68  g/mol
InChI Key
LWWSARSTZGNKGV-UHFFFAOYSA-N
FDA UNII
3B22O325Q6

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride
2.1.2 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
2.1.3 InChI Key
LWWSARSTZGNKGV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OC1CN2CCC1CC2.Cl
2.2 Other Identifiers
2.2.1 UNII
3B22O325Q6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Aceclidin

2. Aceclidine

3. Glaucadrine

4. Glaucocare

5. Glaucostat

6. Glaucotat

2.3.2 Depositor-Supplied Synonyms

1. 6109-70-2

2. Quinuclidin-3-yl Acetate Hydrochloride

3. Aceclidine (hydrochloride)

4. Aceclidine Hcl

5. 3-acetoxyquinuclidine Hydrochloride

6. Aceclidine Hydochloride

7. 1-azabicyclo[2.2.2]oct-3-yl Acetate Hydrochloride

8. 1-azabicyclo[2.2.2]octan-3-yl Acetate;hydrochloride

9. 3b22o325q6

10. (+/-)-3-acetoxyquinuclidine Hydrochloride; 3-acetoxyquinuclidine Hydrochloride

11. Einecs 228-071-5

12. C 162 D

13. Unii-3b22o325q6

14. 1-azabicyclo(2.2.2)octan-3-ol, Acetate (ester), Hydrochloride

15. Aceclidine, Hydrochloride

16. 3-quinclidinol Dl-form Acetate Hydrochloride

17. 3-quinuclidinol, Acetate (ester), Hydrochloride

18. Schembl6237805

19. Chembl4303558

20. Dtxsid30976587

21. Ccg-39134

22. Mfcd00136230

23. Ab03765

24. Ccg-220635

25. Aceclidine Hydrochloride [mart.]

26. Aceclidine Hydrochloride [who-dd]

27. Db-053792

28. Ft-0621714

29. Sw220059-1

30. A833043

31. Sr-01000597817

32. 3-quinuclidinol Dl-form Acetate Hydrochloride

33. Sr-01000597817-1

34. Q27256986

35. 3-quinuclidinol Dl-form Acetate Hydrochloride [mi]

36. 1-azabicyclo[2.2.2]octan-3-yl Acetate--hydrogen Chloride (1/1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 205.68 g/mol
Molecular Formula C9H16ClNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass205.0869564 g/mol
Monoisotopic Mass205.0869564 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Parasympathomimetics

Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here. (See all compounds classified as Parasympathomimetics.)


Miotics

Agents causing contraction of the pupil of the eye. Some sources use the term miotics only for the parasympathomimetics but any drug used to induce miosis is included here. (See all compounds classified as Miotics.)