Basic information
- CAS
5870-29-1- Standard SMILES
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.[Cl-].[H+]- InChIKey
RHKZVMUBMXGOLL-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Overview
See also: Cyclopentolate Hydrochloride (preferred); Cyclopentolate (has active moiety) ... View More ...
Names & identifiers
- Preferred name
- CID 657209
- IUPAC
- 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydron;chloride
- English name
- Cyclopentolate hydrochloride
- Molecular formula
- C17H26ClNO3
- Molecular weight
- 327.85
Names & synonyms
SCHEMBL71266042-(dimethylamino)ethyl1-hydroxy-alpha-phenylcyclopentaneacetatehydrochloridAlnidecyclogylZyklolatMydplegic5-Hydroxy-1Ak-PentolateCyclopentolate HCl USPCyclogyl hydrochlorideLABOTEST-BB LT00244824
Database identifiers
- CAS
5870-29-1、60452-44-0、60452-46-2- PubChem CID
- 657209
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 137 · 137-141°
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Very soluble in water, freely soluble in ethanol (96 per cent). It shows polymorphism (5.9).
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H
- InChIKey
- RHKZVMUBMXGOLL-UHFFFAOYSA-N
- SMILES
- C1(O)(CCCC1)C(C(=O)OCCN(C)C)C1C=CC=CC=1.Cl
- FDA UNII
- 736 I6971TE · 736I6971TE
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- rtecs
- GY2450000
- hs_code
- 2922190900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionCyclopentolate is an antagonist of muscarinic acetylcholine receptors (Kis = 1.62, 27.5, and 2.63 nM for M1, M2, and M3 receptors, respectively). It inhibits carbachol-induced contraction of isolated human iris sphincter, circular ciliary muscle, and longitudinal ciliary muscle (Kbs = 7.9, 15.8, and 12.5 nM, respectively). Formulations containing cyclopentolate have been used to induce pupil dilation and to prevent the eye from accommodating for near vision.
UsesMydriatic;Cholinergic receptor antagonist
Usesantiviral
Usesantitussive
UsesA mydriatic
General DescriptionCyclopentolatehydrochloride, 2-dimethylaminoethyl 1-hydroxy- -phenylcyclopentaneacetatehydrochloride (Cyclogyl), is a crystalline,white, odorless solid that is very soluble in water,easily soluble in alcohol, and only slightly soluble in ether.A 1% solution has a pH of 5.0 to 5.4.Cyclopentolate hydrochloride has one half of the antispasmodicactivity of atropine and is nonirritating when instilledrepeatedly into the eye. If not neutralized after the refractionstudies, its effect dissipates within 24 hours. Neutralizationwith a few drops of pilocarpine nitrate solution, 1% to 2%,often results in complete recovery in 6 hours. It is supplied asa ready-made ophthalmic solution in concentrations of either0.5% or 2%.
Upstream & downstream products
Upstream raw materials
Suppliers80 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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