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

CAS: 611-75-6 Cat. No.: B129356 Peso molecular: 412.59 Beilstein Registry Number: 4848376 Número EC: 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

Descripción general

A secretagogic and mucolytic agent.

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nota

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.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195593
• Sonrisas canónicas: 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
• Isómeros SMILES: CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2.Cl
• WGK Alemania: 2
• RTECS: XS9950000
• CAS alternativo: 3572-43-8
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: RUNX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 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).
• Sensibilidad: Light sensitive
• Punto de fusión (°C): 240-244°C
• Peso molecular: 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

Referencias

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]