Clorhexidina dihidrocloruro - ≥98% , CAS No.3697-42-5

CAS: 3697-42-5 Cat. No.: C113898 Peso molecular: 578.37 Número EC: 223-026-6 PubChem CID: 9571016

GRADE & PURITY ≥98%

Synonyms

CHLORHEXIDINE DIHYDROCHLORIDE (EP MONOGRAPH) | Chlorhexidine dihydrochloride, European Pharmacopoeia (EP) Reference Standard | Chlorhexidine HCl | 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride | NSC 756679 | CHLORHEXIDINE HYDROCHLORID

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

Clorhexidina, Dihidrocloruro es un agente antimicrobiano que actúa como inhibidor de las metaloproteinasas MMP-2 y MMP-9. Sin embargo, la MMP-2 es más sensible a la clorhexidina que la MMP-9. El dihidrocloruro de clorhexidina inhibe la actividad colagenasa de la MMP-8 liberada por leucocitos polimorfonucleares (PMN) activados por PMA de forma dosis-dependiente. Es posible que el dihidrocloruro de clorhexidina actúe a través de un mecanismo de quelación de cationes.

Specifications

Sinónimos

CHLORHEXIDINE DIHYDROCHLORIDE (EP MONOGRAPH) | Chlorhexidine dihydrochloride, European Pharmacopoeia (EP) Reference Standard | Chlorhexidine HCl | 1, 1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride | NSC 756679 | CHLORHEXIDINE HYDROCHLORID

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Antiséptico eficaz contra una amplia variedad de organismos gramnegativos y grampositivos, utilizado en antisépticos y productos dentales. Actividad bacteriostática y bactericida debido a la disrupción de la membrana bacteriana externa.

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764827
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764827
• Sonrisas canónicas: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.Cl.Cl
• IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride
• InChIKey: WJLVQTJZDCGNJN-UHFFFAOYSA-N
• INCHI: 1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H
• Isómeros SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl
• WGK Alemania: 3
• RTECS: XA5285000
• PubChem CID: 9571016
• Peso molecular: 578.37
• Reaxy-Rn: 3850979

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Guanidines
        • Level5 Biguanides
          • Level6 Arylbiguanides
            • Level7 1-arylbiguanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Biguanides - Arylbiguanides
• Direct Parent: 1-arylbiguanides
• Alternative Parents: Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organochlorides Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-arylbiguanide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Imine - Organopnictogen compound - Hydrochloride - Organohalogen compound - Organochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-arylbiguanides. These are organonitrogen compounds containing a biguanide that is N-arylsubstituted at only the 1-position.
• External Descriptors: Not available

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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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

POLK Tbio DNA polymerase kappa (8653 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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

HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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

Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

Explore this target

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 255-262°C
• Peso molecular: 578.400 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 578.154 Da
• Monoisotopic Mass: 576.157 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 648.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

XLogP3

Referencias

1. Xinda You, Zifan Song, Youqing Tian, Ran Chen, Yuxiang Wu, Meijie Wang, Dai Shi, Shan Luo, Jiamei Sun, Yuanhui Xiao, Haixiong Liu, Hanyang Liu, Beili Lu, Lirong Tang, Xingzhong Cao, Jiande Lin, Biao Huang.  (2025)  Coordination-reconstructed cellulose membranes for precise molecular separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.125020]