Grundinformationen
- CAS
62-51-1- Standard-SMILES
CC(=O)OC(C)C[N+](C)(C)C.[Cl-]- InChIKey
JHPHVAVFUYTVCL-UHFFFAOYSA-M- Summenformel
- C8H18ClNO2
- Durchschnittliche Molmasse
- 195,69 g/mol
- Monoisotopische Masse
- 195,1026065
Überblick
Methacholine chloride is a quaternary ammonium salt. It contains a methacholine.
Namen und Bezeichner
- Bevorzugter Name
- Methacholine Chloride
- IUPAC
- 2-acetyloxypropyl(trimethyl)azanium chloride
- Lokaler Name
- 2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminiumchlorid
- Englischer Name
- METHACHOLINE CHLORIDE
- Summenformel
- C8H18ClNO2
- Molmasse
- 195.69
Namen und Synonyme
Methacholine chloride62-51-1ProvocholineAmecholCloruro de metacolinaChlorure de methacholineMetacolina cloruro1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chlorideMethacholini chloridumDTXSID70232710W5ETF9M2KMecholine
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
62-51-1- PubChem CID
- 6114
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 138
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 171 · 171-173 °C(lit.)
- Dichte
- 1.1028 · 1.1028 (rough estimate)
- Brechungsindex
- 1.579 · 1.5790 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 2 O: · H2O: 50 mg/mL, clear, colorless
- Aggregatzustand
- powder
- Farbe
- White to Almost white
- PH
- 3 · 3.0~7.0 (50g/l, 25℃)
- Wasserlöslichkeit
- almost transparency
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- F
- 3-10-21
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29239000
- RTECS-Nr.
- BR5250000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
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.
Verwendung und Herstellung
General Manufacturing Information1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Anwendungen
Verwendenantihypertensive, antianginal
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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