CAS 80-49-9|Homatropine Methylbromide

Introduction：Basic information about CAS 80-49-9|Homatropine Methylbromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Homatropine Methylbromide BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles16
7. Synonyms

Common Name	Homatropine Methylbromide
CAS Number	80-49-9	Molecular Weight	370.281
Density	1.21g/cm3	Boiling Point	403.3ºC at 760 mmHg
Molecular Formula	C₁₇H₂₄BrNO₃	Melting Point	192°C
MSDS	/	Flash Point	197.7ºC

Names

Name	homatropine methylbromide
Synonym	More Synonyms

Homatropine Methylbromide BiologicalActivity

Description	Homatropine Methylbromide is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.target： mAChRIC 50: WKY-E(162.5 nM), SHR-E(170.4nM )In vitro: Homatropine (20 μM) alone produces a dose ratio of 259 in atrium from guinea-pigs. Homatropine (20 μM) produces a dose ratio of only 95.0 when combined with hexamethonium in atrium from guinea-pigs.In vivo: : Pre-treatment with homatropine (20 mg/kg) was comparable with atropine (10 mg/kg) in preventing lethality in this rat model of acute OC poisoning. All rats pre-treated with normal saline, atropine 5 mg/kg, and homatropine 10 mg/kg died. Survival in the homatropine (20 mg/kg) and atropine (10 mg/kg) groups was 30% and 40% respectively.
Related Catalog	Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease
References	[1]. Sim MK et al. Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21. [2]. Bryant SM et al. Intramuscular ophthalmic homatropine vs. atropine to prevent lethality in rates with dichlorvos poisoning. J Med Toxicol. 2006 Dec;2(4):156-9. [3]. Leung E et al. Modification by hexamethonium of the muscarinic receptors blocking activity of pancuronium and homatropine in isolated tissues of the guinea-pig. Eur J Pharmacol. 1982 May 7;80(1):11-7.

Description

Homatropine Methylbromide is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.target： mAChRIC 50: WKY-E(162.5 nM), SHR-E(170.4nM )In vitro: Homatropine (20 μM) alone produces a dose ratio of 259 in atrium from guinea-pigs. Homatropine (20 μM) produces a dose ratio of only 95.0 when combined with hexamethonium in atrium from guinea-pigs.In vivo: : Pre-treatment with homatropine (20 mg/kg) was comparable with atropine (10 mg/kg) in preventing lethality in this rat model of acute OC poisoning. All rats pre-treated with normal saline, atropine 5 mg/kg, and homatropine 10 mg/kg died. Survival in the homatropine (20 mg/kg) and atropine (10 mg/kg) groups was 30% and 40% respectively.

Related Catalog

Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease

References

[1]. Sim MK et al. Muscarinic receptors in the aortae of normo- and hypertensive rats: a binding study. Clin Exp Hypertens. 1993 Mar;15(2):409-21.

[2]. Bryant SM et al. Intramuscular ophthalmic homatropine vs. atropine to prevent lethality in rates with dichlorvos poisoning. J Med Toxicol. 2006 Dec;2(4):156-9.

[3]. Leung E et al. Modification by hexamethonium of the muscarinic receptors blocking activity of pancuronium and homatropine in isolated tissues of the guinea-pig. Eur J Pharmacol. 1982 May 7;80(1):11-7.

Chemical & Physical Properties

Density	1.21g/cm3
Boiling Point	403.3ºC at 760 mmHg
Melting Point	192°C
Molecular Formula	C₁₇H₂₄BrNO₃
Molecular Weight	370.281
Flash Point	197.7ºC
Exact Mass	369.093964
PSA	46.53000
Index of Refraction	1.588
InChIKey	FUFVKLQESJNNAN-ZZJGABIISA-M
SMILES	C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MS9000000

CHEMICAL NAME :: Homatropinium, 8-methyl-, bromide

CAS REGISTRY NUMBER :: 80-49-9

LAST UPDATED :: 199712

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C17-H24-N-O3.Br

MOLECULAR WEIGHT :: 370.33

WISWESSER LINE NOTATION :: T56 A AKTJ A1 A1 GOVYQR &Q &E

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 :: 1200 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: 105,166,1952

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 82 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: 105,166,1952

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 800 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: 105,166,1952

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 12 mg/kg

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

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 236,149,1959

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1400 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: 105,166,1952

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 60 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: 105,166,1952

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 130 mg/kg

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

REFERENCE :: FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2035763

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1 gm/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: 105,166,1952

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 120 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: 105,166,1952

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 75 mg/kg

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

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: 137,375,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 37820 No. of Facilities: 1158 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 11782 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 37820 No. of Facilities: 136 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 2137 (estimated) No. of Female Employees: 1126 (estimated)

Safety Information

Hazard Codes	Xn
Risk Phrases	R20/21/22
Safety Phrases	S22-S26-S36
RIDADR	1544
RTECS	MS9000000
Hazard Class	6.1

Articles16

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Application of second-derivate UV spectrophotometry to the determination of homatropine methylbromide in single-component dosage form.

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Synonyms

Mesopin

Homapin

8-Azoniabicyclo[3.2.1]octane, 3-[[(2R)-2-hydroxy-2-phenylacetyl]oxy]-8,8-dimethyl-, bromide, (3-endo) (1:1)

Arkitropin

Malcotran

EINECS 201-284-0

Homatropine Methylbromide

MFCD00050292

HOMATROPINE METHYL BROMIDE

Novatrin

(3-endo)-3-{[(2R)-2-Hydroxy-2-phenylacetyl]oxy}-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide

Novatropine

UNII-68JRS2HC1C

Sethyl

Homatropine (methylbromide)

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