(3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide

Basic Information

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CAS Number

22254-24-6

Molecular Formula

C20H30BrNO3

Molecular Weight

412.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

230-232 ºC

Solubility

H2O: 10 mg/mL

SMILES

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CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;

InChIKey

LHLMOSXCXGLMMN-WDTICOSOSA-M

LogP

-0.18310

Complexity

430

Safety Information

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Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Toxicity

LD50 in male, female mice (mg/kg): 1001, 1083 orally; 12.29, 14.97 i.v.; 300, 340 s.c.; LD50 in male, female rats (mg/kg): 1663, 1779 orally; 15.89, 15.70 i.v. (Sarafana)

Synonyms & References

English

24358-20-1
SCHEMBL3852
CHEBI:46659
Ipratropium bromide monohydrate
AKOS015895324
CHEMBL1464005
(8-Methyl-8-isopropyl- 8-azoniabicyclo[3.2.1] oct-3-yl) 3-hydroxy-2-phenylpropanoate bromide
Prestwick_279
DTXSID10860753
(8r)-3-alpha-Hydroxy-8-isopropyl-1-alpha-H,5-alpha-H-tropiumbromide-(+-)-tropate
N-Isopropylnoratropinium bromomethylate
IPRATROPIUM BROMIDE [WHO-DD]
3-alpha-Hydroxy-8-isopropyl-1-alpha-H,5-alpha-H-tropanium bromide (+-)-tropate
(exo,Syn)-(1)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide
Ipratropium Bromide'
Sch 1000
BDBM50021892
ATEM
endo-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo(3.2.1)octane bromide
Bromuro de ipratropio [INN-Spanish]
(endo,syn)-(+-)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo[3.2.1]octane bromide
[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide
rel-(1R,3r,5S,8r)-3-((3-hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
N-Isopropylnortropine tropate methobromide
(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
VJV4X1P2Z1
ipratropium bromide
HMS2234J05
Bromure d'ipratropium [INN-French]
3alpha-hydroxy-8-isopropyl-1alphaH,5alphaH-tropanium bromide (+-)-tropate
1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-isopropyl-, bromide, (+-)-tropate

MDL Number

MFCD00069291

Customs Code

2933990090

FAQ

What is (3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide (CAS: 22254-24-6)?

It is a complex organic compound characterized by its specific stereochemistry and structure. This compound contains a bromide ion and features a unique cyclic structure with a phenyl group and an amine group. It is widely used in pharmaceutical applications and research due to its specific functional groups.

What are the main uses of (3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide (CAS: 22254-24-6)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also employed in research for its unique chemical properties and has limited applications in other industries.

Is (3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide (CAS: 22254-24-6) safe?

While generally safe when handled appropriately, this compound requires caution as it is a reactive organic substance. Proper personal protective equipment (PPE) should be worn, and appropriate storage conditions should be maintained to ensure safety during handling and use.

How should (3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide (CAS: 22254-24-6) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in a tightly sealed container to preserve its integrity and prevent degradation. Ideal storage conditions include a temperature range of 10-25°C and a relative humidity below 60%.