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    Chlohexidine Gluconate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 12Xls

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    2D Structure
    Also known as: Chlorhexidine gluconate, 1308292-96-7, Cid 9939931, Chembl1628, Schembl34467, Amy32023
    Molecular Formula
    C28H42Cl2N10O7
    Molecular Weight
    701.6  g/mol
    InChI Key
    KUXUALPOSMRJSW-IFWQJVLJSA-N
    Chlorhexidine Gluconate is the gluconate salt form of chlorhexidine, a biguanide compound used as an antiseptic agent with topical antibacterial activity. Chlorhexidine gluconate is positively charged and reacts with the negatively charged microbial cell surface, thereby destroying the integrity of the cell membrane. Subsequently, chlorhexidine gluconate penetrates into the cell and causes leakage of intracellular components leading to cell death. Since gram positive bacteria are more negatively charged, they are more sensitive to this agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 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
    2.1.2 InChI
    InChI=1S/C22H30Cl2N10.C6H12O7/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;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);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1
    2.1.3 InChI Key
    KUXUALPOSMRJSW-IFWQJVLJSA-N
    2.1.4 Canonical SMILES
    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
    2.1.5 Isomeric 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
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,1'-hbcb

    2. Avagard

    3. Chlorhexamed

    4. Chlorhexidine Bigluconate

    5. Chlorhexidine Digluconate

    6. Chlorhexidine Gluconate

    7. Corsodyl Ici

    8. Curasept Ads 220

    9. Dyna-hex

    10. Eludril

    11. Gibitan

    12. Hexidine

    13. Hibiclens

    14. Hibident

    15. Hibiscrub

    16. Hibisol

    17. Hibitane

    18. Peridex

    19. Perio Chip

    2.2.2 Depositor-Supplied Synonyms

    1. Chlorhexidine Gluconate

    2. 1308292-96-7

    3. Cid 9939931

    4. Chembl1628

    5. Schembl34467

    6. Amy32023

    7. (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

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 701.6 g/mol
    Molecular Formula C28H42Cl2N10O7
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count18
    Exact Mass700.2614991 g/mol
    Monoisotopic Mass700.2614991 g/mol
    Topological Polar Surface Area316 Ų
    Heavy Atom Count47
    Formal Charge0
    Complexity819
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 3  
    Drug NamePAROEX
    Active IngredientCHLORHEXIDINE GLUCONATE
    CompanySUNSTAR AMERICAS (Application Number: A076434)

    2 of 3  
    Drug NamePERIDEX
    Active IngredientCHLORHEXIDINE GLUCONATE
    Company3M (Application Number: N019028)

    3 of 3  
    Drug NamePERIOCHIP
    Active IngredientCHLORHEXIDINE GLUCONATE
    CompanyDEXCEL PHARMA (Application Number: N020774)

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Anti-Infective Agents, Local

    Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Decreased Cell Wall Integrity [PE]