Umeclidinium Bromide

Basic Information

View in Editor

CAS Number

869113-09-7

Molecular Formula

C29H34BrNO2

Molecular Weight

508.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

View in Editor

[Br-].OC(c1ccccc1)(c2ccccc2)C3(CC[N+]4(CCOCc5ccccc5)CC3)CC4

InChI

InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1

InChIKey

PEJHHXHHNGORMP-UHFFFAOYSA-M

LogP

2.10280

Complexity

543

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-, bromide (1:1)
Umeclidinium Bromide
diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol,bromide
GSK573719A
GSK-573719A
Umeclidinium bromide [USAN]
UNII-7AN603V4JV
Umeclidinium (bromide)
Incruse Ellipta
7AN603V4JV
1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide
1-(2-(benzyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide
Umeclidinium brom
Umeclidinium bromide [USAN:INN]
umeclidinii bromidum
umeclidinium-bromide
1-Azoniabicyclo
Umeclidinium bromide
4-[Hydroxy(diphenyl)methyl]-1-[2-[(phenylmethyl)oxy]ethyl]-1-azoniabicyclo[2.2.2]octane
bromide (1:1)

MDL Number

MFCD27976798

FAQ

What are the physical and chemical properties of Umeclidinium Bromide (CAS: 869113-09-7)?

Umeclidinium bromide is a white to off-white crystalline powder (CAS: 869113-09-7). Its molecular weight is approximately 369.08 g/mol. It is slightly soluble in water and ethanol. Chemically, it is highly reactive with bases and can undergo hydrolysis. It has good stability under normal storage conditions but should be protected from moisture.

How is Umeclidinium Bromide (CAS: 869113-09-7) typically synthesized?

Umeclidinium bromide is synthesized by reacting umeclidinium chloride with bromine in the presence of an organic solvent. This reaction is highly selective and yields a high percentage of the desired product. The process involves careful temperature control and purification steps to obtain a high-purity crystalline product.

What industries use Umeclidinium Bromide (CAS: 869113-09-7)?

Umeclidinium bromide (CAS: 869113-09-7) is primarily used in the pharmaceutical industry for the treatment of chronic obstructive pulmonary disease (COPD). It is also used in the production of certain polymers and sensor technologies, although its use in these sectors is less common.

What precautions should be taken when handling Umeclidinium Bromide (CAS: 869113-09-7)?

When handling Umeclidinium bromide (CAS: 869113-09-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate techniques, and the material safety data sheet (MSDS) should be consulted for specific guidelines.