Bromhexine HCl - ≥98% , CAS No.611-75-6

CAS: 611-75-6 Cat. No.: B129356 分子式: C₁₄H₂₀Br₂N₂·HCl 分子量: 412.59 Beilstein Registry Number: 4848376 EC番号: 210-280-8

GRADE & PURITY ≥98%

Synonyms

2-Amino-3,5-dibromo-N-cyclohexyl-N-methylbenzylamine monohydrochloride | Bromessina | SR-05000001825 | Benzylamine, 2-amino-N-cyclohexyl-3,5-dibromo-N-methyl-, hydrochloride | NSC-758383 | 2-Amino-N-cyclohexyl-3,5-dibromo-N-methylbenzylamine hydrochloride

Storage

Room temperature

Shipped In

Normal

概要

A secretagogic and mucolytic agent.

Specifications

同義語

2-Amino-3,5-dibromo-N-cyclohexyl-N-methylbenzylamine monohydrochloride | Bromessina | SR-05000001825 | Benzylamine, 2-amino-N-cyclohexyl-3,5-dibromo-N-methyl-, hydrochloride | NSC-758383 | 2-Amino-N-cyclohexyl-3,5-dibromo-N-methylbenzylamine hydrochloride

仕様と純度

≥98%

生化学的・生理学的メカニズム

Bromhexine hydrochloride is a mucolytic agent that exerts both a secretagogic action on submucosal glands and a mucolytic action toward acid glycoproteins inside cells.Mucolytic, antioxidant agent. Ambroxol prodrug. Inhibits NO-dependent activation of sol

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

• パブケム・シド: 488195593
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488195593
• カノニカル・スマイル: CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2.Cl
• IUPAC Name: 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline;hydrochloride
• InChIKey: UCDKONUHZNTQPY-UHFFFAOYSA-N
• INCHI: 1S/C14H20Br2N2.ClH/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17;/h7-8,12H,2-6,9,17H2,1H3;1H
• 異性体SMILES: CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2.Cl
• WGKドイツ: 2
• RTECS: XS9950000
• 代替CAS番号: 3572-43-8
• 分子量: 412.59
• Beilstein: 4848376
• Reaxy-Rn: 4848376
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4848376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines 2-bromoanilines Cyclohexylamines Bromobenzenes Aralkylamines Aryl bromides Trialkylamines Primary amines Organopnictogen compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Cyclohexylamine - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Tertiary amine - Tertiary aliphatic amine - Primary amine - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: hydrochloride

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (<1 mg/ml at 25 °C), ethanol (5 mg/ml at 25 °C), methanol (1:50), and DMSO (6 mg/ml at 25 °C).
• 感度: Light sensitive
• 融点（°C）: 240-244°C
• 分子量: 412.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 411.974 Da
• Monoisotopic Mass: 409.976 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

参考文献

1. Ai-Hong Duan, Bang-Jin Wang, Sheng-Ming Xie, Jun-Hui Zhang, Li-Ming Yuan.  (2017)  A chiral, porous, organic cage-based, enantioselective potentiometric sensor for 2-aminobutanol.  CHIRALITY,  29  (5): (172-177).  [PMID:28379641] [10.1002/chir.22684]

2. Weiran Qin, Haiting Zhang, Hui Wang, Jie Zhou, Feifei Wang.  (2025)  Pharmaceutical-Driven Disinfection By-products Formation and Antibiotic Resistance Gene Enrichment under Intensified Chlorination during Pandemic.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2025.06.056]

3. Zheng Xiong, Niu Qiuqi, Cui Zihan, Sun Chuanzhi, Long Min, Wu Yang, Chen Yinguang.  (2026)  Functional Groups in Pharmaceutical Contaminants Reshape Sludge Fermentation Pathways: Substrate Selectivity and Microbial Stress Responses.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:] [10.1021/acs.est.6c01101]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 611-75-6, the molecular formula is C14H20Br2N2·HCl, and the molecular weight is 412.59 g/mol. InChIKey UCDKONUHZNTQPY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.