Basic information
- CAS
6109-70-2- Standard SMILES
CC(=O)OC1CN2CCC1CC2.Cl- InChIKey
LWWSARSTZGNKGV-UHFFFAOYSA-N- Molecular formula
- C9H16ClNO2
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0869564
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octan-3-ol, 3-acetate, hydrochloride (1:1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride
- English name
- Aceclidine hydrochloride
- Molecular formula
- C9H16ClNO2
- Molecular weight
- 205.68
Names & synonyms
Aceclidine hydrochloride6109-70-2Aceclidine HCl3-Acetoxyquinuclidine hydrochlorideC 162 D3B22O325Q61-Azabicyclo(2.2.2)octan-3-ol, acetate (ester), hydrochloride1-Azabicyclo(2.2.2)octan-3-ol, 3-acetate, hydrochloride (1:1)RefChem:551459228-071-5Quinuclidin-3-yl acetate hydrochlorideAceclidine (hydrochloride)
Show more names
1-azabicyclo(2.2.2)octan-3-ol,acetate(ester),hydrochlorideAceclidineHClAceclidine hydochloride3-acetoxyquinuclidinehydrochlorideACECLIDINE HYDROCHLORIDE USP/EP/BPAcetate-3-quinuclidinol Hydrochloride3-Quinuclidinol acetate hydrochloride3-quinuclidinol,acetate(ester),hydrochloride
GlaucostatMFCD001362301-Azabicyclo[2.2.2]oct-3-yl acetate hydrochlorideDTXSID309765871-azabicyclo[2.2.2]octan-3-yl acetate;hydrochlorideAB03765SR-01000597817SR-01000597817-1
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 166 °C · 166°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 2 O: · H2O: ≥15mg/mL at ~60°C
- form
- powder
- color
- white to tan
- Water Solubility
- 2 O: · H2O: ≥15mg/mL at~60°C
- Stability
- Moisture Sensitive
- InChI
- InChI=1/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H
- InChIKey
- LWWSARSTZGNKGV-UHFFFAOYNA-N
- SMILES
- C1(OC(=O)C)CN2CC[C@]1([H])CC2.Cl |&1:9,r|
- FDA UNII
- 3 B22O325Q6 · 3B22O325Q6
- UNSPSC Code
- 12352200 · 12352200
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- rtecs
- VD6198000
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H311
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 Oral
- Precautionary statements
- P280-P301+P310-P312
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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.
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.
Applications
UsesAceclidine is a synthetic analogue of Arecoline, a natural cholinomimetic alkaloid. Aceclidine acts as an agonist at cholinergic receptors and has therapeutic use to reduce intraocular pressure in glaucoma. A parasympathomimetic drug with weak anticholinesterase activity.
UsesGlaucoma;Parasympatho-
Suppliers55 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都佰洋科技有限责任公司02861777709 13308012069 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…