Methacholine Chloride
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Basic information
- CAS
62-51-1- Standard SMILES
CC(=O)OC(C)C[N+](C)(C)C.[Cl-]- InChIKey
JHPHVAVFUYTVCL-UHFFFAOYSA-M- Molecular formula
- C8H18ClNO2
- Average molar mass
- 195.69 g/mol
- Monoisotopic mass
- 195.1026065
Overview
Methacholine chloride is a quaternary ammonium salt. It contains a methacholine.
Names & identifiers
- Preferred name
- Methacholine Chloride
- IUPAC
- 2-acetyloxypropyl(trimethyl)azanium chloride
- English name
- METHACHOLINE CHLORIDE
- Molecular formula
- C8H18ClNO2
- Molecular weight
- 195.69
Names & synonyms
Methacholine chloride62-51-1ProvocholineAmecholCloruro de metacolinaChlorure de methacholineMetacolina cloruro1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chlorideMethacholini chloridumDTXSID70232710W5ETF9M2KMecholine
Show more names
mecholylMethaclolineMECHOLYL CHLORIDEMecholine chloridemethylacetylcholineMethacoline chloridemethacholiniumchlorideMethacholineChloride>
Acetyl-2-methylcholine ChlorideNSC-757090DTXCID203271CHEBI:501422-acetyloxy-N,N,N-trimethylpropan-1-aminium chloride2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium ChlorideAcetyl-beta-methacholine ChlorideChloride, Methacholine
Database identifiers
- CAS
62-51-1- PubChem CID
- 6114
- DTXSID
DTXSID7023271- ChEMBL
CHEMBL1200764- ChEBI
CHEBI:50142- UNII
- 0W5ETF9M2K
- EC Number
- 200-537-2
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Solubility>29.4 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section134.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 171 · 171-173 °C(lit.)
- Density
- 1.1028 · 1.1028 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 50 mg/mL, clear, colorless
- form
- powder
- color
- White to Almost white
- PH
- 3 · 3.0~7.0 (50g/l, 25℃)
- Water Solubility
- almost transparency
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 3-10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BR5250000
- hs_code
- 29239000
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
METHACHOLINE CHLORIDE
Cholinergic Receptor Agonist [EPC]; Cholinergic Agonists [MoA]
METHACHOLINE CHLORIDE INHALATION SOLUTION
Cholinergic Agonists [MoA]; Cholinergic Receptor Agonist [EPC]
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.
Agents causing the narrowing of the lumen of a bronchus or bronchiole.
Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.
Uses & manufacturing
General Manufacturing Information1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
Usesantihypertensive, antianginal
UsesAcetyl-β-methylcholine (methacholine), an analog of acetylcholine, is use as a receptor agonist to study processes such as airway hyperresponsiveness associated with asthma.
General DescriptionMethacholine chloride occurs as colorless or white crystalsor as a white crystalline powder. It is odorless or has aslight odor and is very deliquescent. It is freely soluble inwater, alcohol, or chloroform, and its aqueous solution isneutral to litmus and bitter. It is hydrolyzed rapidly in alkalinesolutions. Solutions are relatively stable to heat and willkeep for at least 2 or 3 weeks when refrigerated to delaygrowth of molds.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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