Bedaquiline | CAS No. 843663-66-1

Bedaquiline

Basic Information

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CAS Number

843663-66-1

Molecular Formula

C32H31BrN2O2

Molecular Weight

555.52 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

Boiling Point

702.7 °C at 760 mmHg

Density

1.322

Flash Point

702.7 °C at 760 mmHg

SMILES

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COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br

InChI

InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1

InChIKey

QUIJNHUBAXPXFS-XLJNKUFUSA-N

LogP

7.130500000000008

Topological Polar Surface Area

45.59 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

715

Synonyms & References

English

(1R,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
(αS,βR)-Bedaquiline
TMC 207
TMC-207
6-amino-2-benzamidohexanoic acid methyl ester hydrochloride
6-Bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol
Bedaquiline
BZ-LYS-OME HCL
methyl (2S)-6-amino-2-benzamidohexanoate
methyl 6-azanyl-2-benzamido-hexanoate hydrochloride
R207910
R-207910
BCP02829
AK145620
(2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol

MDL Number

MFCD22628872

FAQ

What regulatory guidelines apply to Bedaquiline (CAS: 843663-66-1)?

Bedaquiline (CAS: 843663-66-1) is regulated under various guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements in the United States. It is important to comply with specific handling, storage, and disposal regulations to ensure safety and environmental protection.

Are there alternatives to Bedaquiline (CAS: 843663-66-1) in synthesis?

While Bedaquiline (CAS: 843663-66-1) is a key compound in tuberculosis treatment, there are alternative reagents and synthesis routes that can be used, such as linezolid or other second-line anti-tuberculosis drugs. These alternatives may offer different advantages in terms of cost, availability, and synthesis complexity.

What is the market or research trend for Bedaquiline (CAS: 843663-66-1)?

Bedaquiline (CAS: 843663-66-1) continues to see research and development interest, particularly in combination therapies for drug-resistant tuberculosis. Market trends indicate growing demand, especially in regions with high TB prevalence. Research focuses on improving its efficacy, safety, and reducing side effects.

How should waste containing Bedaquiline (CAS: 843663-66-1) be handled?

Waste containing Bedaquiline (CAS: 843663-66-1) should be collected in appropriately labeled containers and disposed of through professional waste disposal services to ensure proper incineration or other suitable methods. Environmental protection precautions, such as minimizing contamination and adhering to local waste management regulations, are crucial.