Methscopolamine bromide

Catalog Number	ACM155419-1
CAS Number	155-41-9
Structure
Synonyms	(-)-Scopolamine methyl bromide;(-)-scopolamine methobromide;(1R,2R,4S,5S,7S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide;(S)-6beta,7beta-Epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide;1-alpha-H,5-alpha-H-Tropanium,6-beta,7-beta-epoxy-3-alpha-hydroxy-8-methyl-, bromide, (-)-tropate (ester);155-41-9;1alphaH,5alphaH-Tropanium, 6beta,7beta-epoxy-3alpha-hydroxy-8-methyl-, bromide, (-)-tropate;6beta,7beta-Epoxy-3alpha-hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide (-)-tropate;7-(3-Hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-3-oxo-9-azoniatricyclo-(3.3.1.0(2,4))nonane bromide
IUPAC Name	[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide.
Molecular Weight	398.2915g/mol
Molecular Formula	C18H24BrNO4
InChI	InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16-,17+;/m1./s1
InChI Key	CXYRUNPLKGGUJF-OZVSTBQFSA-M
Purity	0.98
Appearance	Solid
Complexity	454
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0.
EC Number	205-844-5
Exact Mass	397.089g/mol
Formal Charge	0
Hazard Class	6.1
Hazard Excepted Quantities	E1 (Inner packaging: 30, Outer packaging: 1000)
Hazard Limited Quantities	5kg
Hazard Statements	H302: Harmful if swallowed. H315: Causes skin irritation. H319: Causes serious eye irritation. H335: May cause respiratory irritation.P280: Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
MDL Number	MFCD00078560
Monoisotopic Mass	397.089g/mol
Packing Group	III
Rotatable Bond Count	5
Topological Polar Surface Area	59.1A^2.
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
UN Number	1544

Custom Q&A

What is the chemical name of methscopolamine bromide?

The chemical name of methscopolamine bromide is 3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)

What is the molecular formula of methscopolamine bromide?

The molecular formula of methscopolamine bromide is C18H24BrNO4

What is the storage temperature recommended for methscopolamine bromide?

Methscopolamine bromide should be stored at -20°C

What is the color of methscopolamine bromide?

Methscopolamine bromide is white in color

What is the main application of methscopolamine bromide?

Methscopolamine bromide is used to treat gastrointestinal disorders such as peptic ulcers, irritable bowel syndrome, and stomach cramps.

How does methscopolamine bromide function in the body?

Methscopolamine bromide blocks the action of acetylcholine on smooth muscle cells in the digestive tract, reducing spasms and increasing motility.

What is the therapeutic function of methscopolamine bromide?

The therapeutic function of methscopolamine bromide is spasmolytic.

What is the originator of methscopolamine bromide?

The originator of methscopolamine bromide is Upjohn in the US, in 1953.

What is the chemical structure of methscopolamine bromide?

Methscopolamine bromide is a quaternary ammonium salt resulting from the reaction of scopolamine with methyl bromide.

What safety information about methscopolamine bromide is provided in the reference?

The hazard codes for methscopolamine bromide include T, N, and Xn, and it is classified under HazardClass 6.1.

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