Chlorhexidine digluconate solution - Moligand™, 20% w/v in aqueous solution , CAS No.18472-51-0

CAS: 18472-51-0 Cat. No.: C346980 분자식: C₂₂H₃₀Cl₂N₁₀・2C₆H₁₂O₇ 분자량: 897.76 EC 번호: 242-354-0 PubChem CID: 9552081

GRADE & PURITY Moligand™, 20% w/v in aqueous solution

Synonyms

Chlorhexidin glukonatu | Microderm | Plac out | Bactoshield CHG 2% | Chloradine Lube | CHLORHEXIDINE GLUCONATE (USP IMPURITY) | Stomodine F | UNII-0756UWA0SA | Vetasan | Hexi Dip | Hibiclens | UNII-MOR84MUD8E | Betasept | Bioscrub | chlorhexidine biglucon

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요

Chlorhexidine digluconate solution is a bis(biguanide) family cationic broad spectrum antibiotic. Studies indicate that Chlorhexidine digluconate solution functions, via destabilization of the outer bacterial membrane, which resulted in the release of periplasmic enzymes in gram negative bacteria. In addition, Chlorhexidine digluconate solution inhibits oxygen utilization which leads to a reduction in bacterial ATP. These studies also indicate that the inner membrane in gram negative bacteria was not affected by the solution, however there was inhibition of active transport for small molecules entering the cell. Furthermore, Chlorhexidine digluconate solution is very effective against bacteria such as|Propionibacterium, Selenomonas|, and cocci resembling|Veillonella|.

Specifications

동의어

Chlorhexidin glukonatu | Microderm | Plac out | Bactoshield CHG 2% | Chloradine Lube | CHLORHEXIDINE GLUCONATE (USP IMPURITY) | Stomodine F | UNII-0756UWA0SA | Vetasan | Hexi Dip | Hibiclens | UNII-MOR84MUD8E | Betasept | Bioscrub | chlorhexidine biglucon

사양 및 순도

Moligand™, 20% w/v in aqueous solution

생화학 및 생리적 메커니즘

Cationic broad-spectrum antibacterial agents belong to the bis (guanidine) family. Its mechanism of action involves disrupting the stability of external bacterial membranes. It is mainly used as a local antibacterial/disinfectant for wound healing, cathet

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

이름과 식별자

• Pubchem Sid: 504764816
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764816
• 정식 스마일: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O
• IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
• InChIKey: YZIYKJHYYHPJIB-UUPCJSQJSA-N
• INCHI: 1S/C22H30Cl2N10.2C6H12O7/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;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
• 이성체 SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
• PubChem CID: 9552081
• 분자량: 897.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Biguanides Chlorobenzenes Hydroxy fatty acids Alpha hydroxy acids and derivatives Aryl chlorides Monosaccharides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Polyols Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary alcohols Organochlorides Hydrocarbon derivatives Organic oxides Imines Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Halobenzene - Chlorobenzene - Biguanide - Beta-hydroxy acid - Benzenoid - Monosaccharide - Aryl halide - Aryl chloride - Hydroxy acid - Alpha-hydroxy acid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Secondary alcohol - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Polyol - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Imine - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• External Descriptors: D-gluconate adduct - organochlorine compound

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

화학 및 물리적 특성

• 감도: light & heat sensitive
• 분자량: 897.800 g/mol
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 23
• Exact Mass: 896.32 Da
• Monoisotopic Mass: 896.32 Da
• Topological Polar Surface Area: 454.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 819.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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

참고 문헌

1. Meng Wei, QiQi Hu, Qi Xie, TianQi Wang, WeiLi Xie.  (2026)  Enhanced antimicrobial properties of POSS-modified composite resin with chlorhexidine-loaded bioactive glass.  JOURNAL OF DENTISTRY,      [PMID:41850415] [10.1016/j.jdent.2026.106633]