Chlorhexidine gluconate

Type: Molecular complex
CAS: 18472-51-0
EC: 242-354-0
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 59 across every transformer

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate
1,1′-Hexamethylenebis[5-(p-chlorophenyl)biguanide] digluconate
1,6-Bis(4-chlorophenyldiguanino)hexane digluconate
1,6-Bis(p-chlorophenyldiguanido)hexane digluconate
1,6-Bis[N5-(p-chlorophenyl)biguanido]hexane digluconate
2,4,11,13-Tetraazatetradecanediimidamide, N,N′′-bis(4-chlorophenyl)-3,12-diimino-, di-D-gluconate
Abacil
Acclean
Arlacide G
Bacticlens
Betasept
Biguanide, 1,1′-hexamethylenebis[5-(p-chlorophenyl)-, di-D-gluconate
Bis(p-chlorophenyl)diguanidohexane digluconate
Blue Ribbon Sanitizing Teat Dip
CHG Solution BP
Chloraprep
Chlorhexamed
Chlorhexidine bigluconate
chlorhexidine D-digluconate
chlorhexidine di-D-gluconate
chlorhexidine digluconate
ConCool
Corsodyl
D-Gluconic acid, compd. with 1,1′-hexamethylenebis[5-(p-chlorophenyl)biguanide] (2:1)
D-Gluconic acid, compd. with N,N′′-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)
D-Gluconic acid, compd. with N1,N14-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)
Dentochlor
Disteryl
Geksikon
Gingisan
Gluconic acid, compd. with 1,1′-hexamethylenebis[5-(p-chlorophenyl)biguanide] (2:1), D-
Hexana
Hexicon
Hexidine
Hibiclens
Hibidil
Hibiscrub
Hibisol
Hibistat
Hibital
Hibitane
Hibitane 5
Hibitane G
Manusan
Maskin
Maskin R
Medihex-4
N',n'''''-hexane-1,6-diylbis[n-(4-chlorophenyl)(imidodicarbonimidic Diamide)] - D-gluconic Acid (1:2)
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2)
Oramed
Peridex (antiseptic)
PerioChip
Permachem CL 40
PHiso-Med
Plac Out
Purit
Rotersept
Secalan
Septeal
Spectradyne
Sterilon
Unisept

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	YZIYKJHYYHPJIB-UUPCJSQJSA-N
InChI2D string chemrof:inchi2d_string	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;27-1-2(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);22-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
IUPAC name chemrof:IUPAC_name	1,1′-Hexamethylenebis[5-(p-chlorophenyl)biguanide] digluconate
Molecular formula chemrof:molecular_formula	C22H30Cl2N10.2C6H12O7, C34H54Cl2N10O14
Molecular mass chemrof:molecular_mass	897.768
Monoisotopic mass chemrof:monoisotopic_mass	896.3198, 896.319802
SMILES string chemrof:smiles_string	N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)C(O)C(O)C(O)C(O)CO.O=C(O)C(O)C(O)C(O)C(O)CO

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
beilstein	beilstein:4348068	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=18472-51-0	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28312	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.038.489	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.122.243	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5034519	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4297088	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MOR84MUD8E	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/D00858	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C08038	enrich_references.pubchem_identifier_url
kegg.jp	https://www.kegg.jp/entry/D00858	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47974	enrich_references.pubchem_identifier_url
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL4297088	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9552081	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=103605	enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/20791	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q15709152	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c2991a96-7e20-42a0-99f9-fb80ba7deaf4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
21560ce6-e866-4b0b-94e9-c269498a82b7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
878a2724-25f5-4907-b78d-7fa1eb8cdc1e	Environmental → Air → Indoor	EF 3.1	kg	4
13b81430-bd87-407b-9b3c-d798c659080c	Environmental → Air → Long-term	EF 3.1	kg	0
b04f96aa-72c3-4baa-9d54-182ddae3ea4e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
83de792b-32a4-441c-be2d-7b1c3f287d59	Environmental → Air → Unknown	EF 3.1	kg	4
2e884034-357c-492d-acd5-71a97a32d4f2	Environmental → Ground → Agricultural	EF 3.1	kg	4
3ce03a96-f549-45b9-a603-8edfbc02340b	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
37b03334-910e-4967-ba82-373a9c94850e	Environmental → Ground → Unknown	EF 3.1	kg	4
c5caf5fd-150e-47ce-9c97-5de1a04cc9b4	Environmental → Water → Long-term	EF 3.1	kg	0
e05d838a-f856-4501-a672-1a143ae05696	Environmental → Water → Ocean	EF 3.1	kg	4
dd04efd7-f8d3-41cb-ab8b-a525411157dc	Environmental → Water → Surface water	EF 3.1	kg	4
577eac50-27d1-4006-9398-0643551e34b4	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (59 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-a73fa9465a42e39d",
  "prefLabel": [
    {
      "@value": "Chlorhexidine gluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_28312"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,1′-Hexamethylenebis[5-(p-chlorophenyl)biguanide] digluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,6-Bis(4-chlorophenyldiguanino)hexane digluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
      "@value": "1,6-Bis(p-chlorophenyldiguanido)hexane digluconate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,6-Bis[N5-(p-chlorophenyl)biguanido]hexane digluconate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4,11,13-Tetraazatetradecanediimidamide, N,N′′-bis(4-chlorophenyl)-3,12-diimino-, di-D-gluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Abacil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acclean",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Arlacide G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bacticlens",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Betasept",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biguanide, 1,1′-hexamethylenebis[5-(p-chlorophenyl)-, di-D-gluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(p-chlorophenyl)diguanidohexane digluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Blue Ribbon Sanitizing Teat Dip",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CHG Solution BP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chloraprep",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorhexamed",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chlorhexidine bigluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "chlorhexidine D-digluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_28312"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chlorhexidine di-D-gluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_28312"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chlorhexidine digluconate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_28312"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ConCool",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Corsodyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D-Gluconic acid, compd. with 1,1′-hexamethylenebis[5-(p-chlorophenyl)biguanide] (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D-Gluconic acid, compd. with N,N′′-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D-Gluconic acid, compd. with N1,N14-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dentochlor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disteryl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18472-51-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18472-51-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Geksikon",
      "@language": "en",
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Chlorhexidine gluconate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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