CAS 51-56-9|Homatropine (Bromide)

Introduction:Basic information about CAS 51-56-9|Homatropine (Bromide), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHomatropine (Bromide)
CAS Number51-56-9Molecular Weight356.25500
Density1.21g/cm3Boiling Point434.9ºC at 760 mmHg
Molecular FormulaC16H22BrNO3Melting Point214-217 °C
MSDS/Flash Point216.8ºC

Names

Namealpha-Hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrobromide
SynonymMore Synonyms

Homatropine (Bromide) BiologicalActivity

DescriptionHomatropine Bromide is muscarinic AChR antagonist that is an anticholinergic medication.Target: mAChRHomatropine is an anticholinergic medication that is an antagonist at muscarinic acetylcholine receptors and thus the parasympathetic nervous system. 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 [1]. Homatropine has similar affinities for muscarinic receptors in stomach (pA2 = 7.13) and for those in atria mediating force (pA2 = 7.21) and rate (pA2 = 7.07) responses [2]. Homatropine [14C]methylbromide administrated rectal achieves higher and rapid peak plasma concentrations than by the other routes in rats whether HMB-14C is administered in a water-soluble suppository base or in aqueous solution, retained 28% of the 14C has been excreted in the urine while 56% remained in the large intestine after 12 hours. Unlabelled Homatropine methylbromide, given in rectal suppositories to anaesthetized rats, causes prompt blockade of the effects of vagal stimulation on pulse rate and of intravenous acetylcholine on blood pressure [3].
Related CatalogSignaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Neurological Disease
References

[1]. Leung, E. and F. Mitchelson, Modification by hexamethonium of the muscarinic receptors blocking activity of pancuronium and homatropine in isolated tissues of the guinea-pig. Eur J Pharmacol, 1982. 80(1): p. 11-7.

[2]. Gilani, S.A. and L.B. Cobbin, Interaction of himbacine with carbachol at muscarinic receptors of heart and smooth muscle. Arch Int Pharmacodyn Ther, 1987. 290(1): p. 46-53.

[3]. Cramer, M.B., L.A. Cates, and D.E. Clarke, Rectal absorption of homatropine [14C]methylbromide in the rat. J Pharm Pharmacol, 1978. 30(5): p. 284-6.

Chemical & Physical Properties

Density1.21g/cm3
Boiling Point434.9ºC at 760 mmHg
Melting Point214-217 °C
Molecular FormulaC16H22BrNO3
Molecular Weight356.25500
Flash Point216.8ºC
Exact Mass355.07800
PSA49.77000
LogP2.78440
InChIKeyDWSGTFTVBLXELC-MOTQWOLNSA-N
SMILESBr.CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2
Water Solubilitysoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM5602000
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester), hydrobromide
CAS REGISTRY NUMBER :
51-56-9
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H21-N-O3.Br-H
MOLECULAR WEIGHT :
356.30
WISWESSER LINE NOTATION :
T56 A ANTJ A1 GOVYQR &EH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
154 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,789,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
107 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: 96,1,1949 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4753 No. of Facilities: 86 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 3286 (estimated) No. of Female Employees: 2698 (estimated)

Safety Information

Hazard CodesT:Toxic;
Risk PhrasesR23/24/25
Safety PhrasesS45-S24/25-S22
RIDADR1544
RTECSYM5602000
Packaging GroupI; II; III
Hazard Class6.1
HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Synonyms

EINECS 200-105-3
α-Hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrobromide
Homatropine hydrobromide
DL-Homatropine hydrobromide
(1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide
endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide
MFCD00012676
Homatropine (Bromide)
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