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62-51-1

62-51-1 Structure

62-51-1 Structure
IdentificationBack Directory
[Name]

METHACHOLINE CHLORIDE
[CAS]

62-51-1
[Synonyms]

amechol
mecholyl
Methacloline
MECHOLYL CHLORIDE
Mecholine chloride
methylacetylcholine
Methacoline chloride
METHACHOLINE CHLORIDE
methacholiniumchloride
Methacholine Chloride (AS)
METHACHOLINE CHLORIDE 98+%
METHACHOLINECHLORIDE,CRYSTAL
METHACHOLINECHLORIDE,HIGHPURITY
ACETYL-2-METHYLCHOLINE CHLORIDE
ACETYL-B-METHYLCHOLINE CHLORIDE
beta-methylacetylcholinechloride
METHACHOLINECHLORIDE,CRYSTAL,USP
Acetyl-β-methylcholine chloride
METHACHOLINE CHLORIDE CRYSTALLINE
O-Acetyl-β-methylcholine chloride
ACETYL-BETA-METHYLCHOLINE CHLORIDE
Methacholine Chloride (500 mg) (AS)
Acetyl b-methylcholine chloride 98%+
O-ACETYL-BETA-METHYLCHOLINE CHLORIDE
Acetyl-beta-methylcholine chloride,98%
TRIMETHYL-B-ACETOXYPROPYLAMMONIUM CHLORIDE
(2-ACETOXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE
ACETYL-B-METHYLCHOLINE CHLORIDECRYSTALLI NE
METHACHOLINE CHLORIDE ACETYL-B-METHYLCHO LIN
TRIMETHYL-BETA-ACETOXYPROPYLAMMONIUM CHLORIDE
2-acetoxy-N,N,N-triMethylpropan-1-aMiniuM chloride
(2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE ACETATE
2-(acetyloxy)-n,n,n-trimethyl-1-propanaminiuchloride
ammonium,(2-hydroxypropyl)trimethyl-,chloride,acetate
1-PROPANAMINIUM 2-(ACETYLOXY)-N,N,N-TRIMETHYL CHLORIDE
2-(ACETYLOXY)-N,N,N-TRIMETHYL-1-PROPANAMINIUM CHLORIDE
O-Acetyl-beta-methylcholine Chloride Mecholyl Chloride
(2-Acetoxypropyl)trimethylammonium chloride, Methacholine chloride
[EINECS(EC#)]

200-537-2
[Molecular Formula]

C8H18ClNO2
[MDL Number]

MFCD00011817
[MOL File]

62-51-1.mol
[Molecular Weight]

195.69
Chemical PropertiesBack Directory
[Appearance]

colourless to white crystalline powder with a slight
[Melting point ]

171-173 °C(lit.)
[density ]

1.1028 (rough estimate)
[refractive index ]

1.5790 (estimate)
[storage temp. ]

2-8°C
[solubility ]

H2O: 50 mg/mL, clear, colorless
[form ]

powder
[color ]

White to Almost white
[PH]

3.0~7.0 (50g/l, 25℃)
[Stability:]

Unstable-moisture sensitive. Incompatible with oxidizing agents.
[Water Solubility ]

almost transparency
[Merck ]

14,5940
[BRN ]

4162373
[InChI]

1S/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
[InChIKey]

JHPHVAVFUYTVCL-UHFFFAOYSA-M
[SMILES]

[Cl-].CC(C[N+](C)(C)C)OC(C)=O
[LogP]

-3.957 (est)
[CAS DataBase Reference]

62-51-1
[EPA Substance Registry System]

1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (62-51-1)
Hazard InformationBack Directory
[Chemical Properties]

colourless to white crystalline powder with a slight
[Uses]

antihypertensive, antianginal
[Definition]

ChEBI: Methacholine chloride is a quaternary ammonium salt. It contains a methacholine.
[Purification Methods]

It forms white hygroscopic needles from Et2O and is soluble in H2O, EtOH and CHCl3. It decomposes readily in alkaline solutions and slowly in H2O. It should be handled and stored in a dry atmosphere. The bromide is less hygroscopic, and the picrate has m 129.5-131o (from EtOH). [racemate: Annis & Ely Biochem J 53 34 1953, IR of iodide: Hansen Acta Chem Scand 13 155 1959, Beilstein 4 IV 1670.]
[General Description]

Methacholine 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.
[Biochem/physiol Actions]

Metabolically stable analog of acetylcholine; muscarinic agonist. Its ability to constrict airway smooth muscle is used to assess bronchial reactivity in the laboratory and clinically.
[Clinical Use]

Methacholine, acetyl β-methylcholine, is marketed as the racemic mixture. It is a selective muscarinic agonist with very little activity at nicotinic receptors. Although methacholine chloride is marketed as the racemic mixture, the S-(+)-enantiomer is 240-fold more potent than the R-(–)-isomer at muscarinic receptors. In addition, AChE hydrolyzes S-(+)–methacholine at approximately 54% the rate of acetylcholine, whereas the R-(–)–enantiomer is a weak inhibitor. Methacholine chloride is used via inhalation for the diagnosis of asthma. The resulting bronchospasm may be relieved with bronchodilators. Methacholine chloride is available as a powder that is reconstituted for inhalation.
[storage]

Store at -20°C, stored under nitrogen
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P301+P312+P330-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

BR5250000
[F ]

3-10-21
[TSCA ]

TSCA listed
[HS Code ]

29239000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Diethyl ether-->Acetic anhydride-->Isopropyl alcohol-->Trimethylamine-->1-Chloro-2-propanol
Spectrum DetailBack Directory
[Spectrum Detail]

METHACHOLINE CHLORIDE(62-51-1)MS
METHACHOLINE CHLORIDE(62-51-1)1HNMR
METHACHOLINE CHLORIDE(62-51-1)13CNMR
METHACHOLINE CHLORIDE(62-51-1)IR1
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