CAS 62-51-1|Methacholine (chloride)

Introduction：Basic information about CAS 62-51-1|Methacholine (chloride), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Methacholine (chloride) BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles70
7. Synonyms

Common Name	Methacholine (chloride)
CAS Number	62-51-1	Molecular Weight	195.687
Density	1.1028 (rough estimate)	Boiling Point	/
Molecular Formula	C₈H₁₈ClNO₂	Melting Point	171-173ºC(lit.)
MSDS	ChineseUSA	Flash Point	/
Symbol	GHS07	Signal Word	Warning

Names

Name	Acetyl-beta-methylcholine chloride
Synonym	More Synonyms

Methacholine (chloride) BiologicalActivity

Description	Methacholine chloride is a synthetic choline ester that acts as a non-selective muscarinic receptor agonist in the parasympathetic nervous system.
Related Catalog	Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Others
References	[1]. Birnbaum S, et al. Methacholine challenge testing: identifying its diagnostic role, testing, coding, and reimbursement. Chest. 2007 Jun;131(6):1932-5.

Chemical & Physical Properties

Density	1.1028 (rough estimate)
Melting Point	171-173ºC(lit.)
Molecular Formula	C₈H₁₈ClNO₂
Molecular Weight	195.687
Exact Mass	195.102600
PSA	26.30000
Index of Refraction	1.5790 (estimate)
InChIKey	JHPHVAVFUYTVCL-UHFFFAOYSA-M
SMILES	CC(=O)OC(C)C[N+](C)(C)C.[Cl-]
Stability	Unstable - moisture sensitive. Incompatible with oxidizing agents.
Water Solubility	H2O: 50 mg/mL, clear, colorless \| almost transparency

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BR5250000

CHEMICAL NAME :: Ammonium, (2-hydroxypropyl)trimethyl-, chloride, acetate

CAS REGISTRY NUMBER :: 62-51-1

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C8-H18-N-O2.Cl

MOLECULAR WEIGHT :: 195.72

WISWESSER LINE NOTATION :: 1VOY1&1K1&1&1 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 58,337,1936

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 58,337,1936

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 58,337,1936

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 740 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PHTXA6 Pharmacology and Toxicology. English translation of FATOAO. (New York, NY) V.20-22, 1957-59. Discontinued. Volume(issue)/page/year: 22,210,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,227,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 58,337,1936

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 58,337,1936

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 3750 ug/kg

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 106,245,1956 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2961 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 307 (estimated) No. of Female Employees: 162 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P301 + P312 + P330-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn: Harmful;
Risk Phrases	R22
Safety Phrases	S26;S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	BR5250000
HS Code	29239000

Articles70

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Synonyms

Methacholinium chloride

Besacholine

Mechothane

1-propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride

Methacholine chloride

β-Methylcholine chloride urethan

Urecholine chloride

Uro-Carb

2-carbamoyloxypropyl(trimethyl)azanium,chloride

b-Methylacetylcholine Chloride

Acetyl-b-methylcholine Chloride

2-Acetoxy-N,N,N-trimethylpropan-1-aminium chloride

(2-Carbamoyloxy-propyl)-trimethyl-ammonium,Chlorid

2-(Carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride

Carbamate of (2-Hydroxypropyl)trimethylammonium Chloride

Mictone

2-(acetyloxy)-N,N,N-trimethylpropan-1-aminium chloride

2-(Carbamoyloxy)-N,N,N-trimethyl-1-propanaminium chloride

2-[(aminocarbonyl)oxy]-N,N,N-trimethylpropan-1-aminium chloride

Carbamylmethylcholine chloride

Urecholine

2-[(Aminocarbonyl)oxy]-N,N,N-trimethyl-1-propanaminium Chloride

(2-Carbamoyloxypropyl)trimethylammonium chloride

2-acetyloxypropyl(trimethyl)azanium,chloride

Bethanechol chloride

(2-carbamoyloxy-propyl)-trimethyl-ammonium,chloride

Trimethyl-b-acetoxypropylammonium Chloride

EINECS 200-537-2

Mechotane

O-Acetyl-b-methylcholine Chloride

BTC

Mecothane

2-carbamyloxy-1-(N,N,N-trimethyl)-propylammonium chloride

1-Propanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride (1:1)

methylcarbachol chloride

UNII:0W5ETF9M2K

Bethanechol

1-Propanaminium, 2-(acetyloxy)-N,N,N-trimethyl-, chloride (1:1)

DUVOID

Myocholine

2-Acetoxy-N,N,N-trimethyl-1-propanaminium chloride

MFCD00011817

(±)-Acetyl-b-methylcholine Chloride

Methacholine (chloride)

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