Chlorhexidine

Details

• Internal ID: 7b031773-c8a5-4c77-bb6d-ca4f50335696
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Halobenzenes > Chlorobenzenes
• IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
• InChI: InChI=1S/C22H30Cl2N10/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)
• InChI Key: GHXZTYHSJHQHIJ-UHFFFAOYSA-N
• Popularity: 22,662 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₀Cl₂N₁₀
• Molecular Weight: 505.40 g/mol
• Exact Mass: 504.2031964 g/mol
• Topological Polar Surface Area (TPSA): 178.00 Ų
• XlogP: 0.10

Synonyms

• 55-56-1
• Fimeil
• Hexadol
• Soretol
• Chlorhexidinum
• Chlorhexidin
• Clorhexidina
• Sterilon
• Tubulicid
• Cloresidina
• Nolvasan
• Merfen-incolore
• Chlorhexadine
• Dentisept
• 1,6-Bis(p-chlorophenyldiguanido)hexane
• 1,6-Di(4'-chlorophenyldiguanido)hexane
• 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane
• 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)
• R4KO0DY52L
• CHEBI:3614
• 1,6-Di(N-p-chlorophenyldiguanido)hexane
• 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-
• DTXCID0013314
• DTXSID2033314
• N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
• N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide
• clorexidina
• (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
• N-(4-chlorophenyl)-1-3-(6-(N-(3-(4-chlorophenyl)carbamimidamidomethanimidoyl)amino)hexyl)carbamimidamidomethanimidamide
• RefChem:575616
• Metz Soft Kote Teat Dip
• Metz Soft Kote TeatSpray
• chlorhexidini dihydrochloridum
• MK412A
• A01AB03
• B05CA02
• D08AC02
• D09AA12
• MK 412A
• R02AA05
• S01AX09
• S02AA09
• S03AA04
• (1E)-2-(6-((amino-((E)-(amino-(4-chloroanilino)methylidene)amino)methylidene)amino)hexyl)-1-(amino-(4-chloroanilino)methylidene)guanidine
• (1E)-2-(6-((amino-((Z)-(amino-(4-chloroanilino)methylidene)amino)methylidene)amino)hexyl)-1-(amino-(4-chloroanilino)methylidene)guanidine
• 2-(6-((amino-((E)-(amino-(4-chloroanilino)methylidene)amino)methylidene)amino)hexyl)-1-(amino-(4-chloroanilino)methylidene)guanidine
• 200-238-7
• (1Z)-2-(6-((amino-((Z)-(amino-(4-chloroanilino)methylidene)amino)methylidene)amino)hexyl)-1-(amino-(4-chloroanilino)methylidene)guanidine
• 2-(6-((amino-((amino-(4-chloroanilino)methylidene)amino)methylidene)amino)hexyl)-1-(amino-(4-chloroanilino)methylidene)guanidine
• Rotersept
• Cloresidina [DCIT]
• Chlorhexidin [Czech]
• Chlorhexidinum [INN-Latin]
• Clorhexidina [INN-Spanish]
• Chlorohexidine
• Peridex
• Chlorhexidine (INN)
• 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)
• CHEMBL790
• MLS001332388
• Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-
• CAS-55-56-1
• NCGC00016246-03
• SMR000857146
• Sterido
• Savlon babycare
• CHLORHEXIDINE [INN]
• N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]
• Chlorhexidine [INN:BAN]
• 1,1'-hexamethylenebis[5-(p-chlorophenyl)biguanide]
• MLS001304094
• Chlorhexidine diacetate salt hydrate
• CCRIS 9230
• HSDB 7196
• Merfen-incolore (TN)
• SR-01000799135
• Nolvasan (*Diacetate*)
• 1,1'-Hexamethylenebis(5-[p-chlorophenyl]biguanide)
• SMR000718621
• EINECS 200-238-7
• UNII-R4KO0DY52L
• Lisium (*Dihydrochloride*)
• BRN 2826432
• Dentisept [veterinary] (TN)
• 1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane
• Prestwick_53
• Chlorhexidine (1)
• Hibidil (Salt/Mix)
• Hibisol (Salt/Mix)
• 1246816-96-5
• Hibitane (Salt/Mix)
• Hibiscrub (Salt/Mix)
• Hibispray (Salt/Mix)
• NSC526936
• Spectrum_000237
• Savloclens (Salt/Mix)
• Chlorhexidine (Standard)
• Prestwick0_000143
• Prestwick1_000143
• Prestwick2_000143
• Prestwick3_000143
• Spectrum2_000135
• Spectrum3_000339
• Spectrum4_000277
• Spectrum5_001322
• CHLORHEXIDINE [MI]
• EC 200-238-7
• CHLORHEXIDINE [HSDB]
• Chlorhexidine, >=99.5%
• BSPBio_000246
• BSPBio_001977
• CHLORHEXIDINE [VANDF]
• KBioGR_000774
• KBioSS_000717
• 4-12-00-01201 (Beilstein Handbook Reference)
• MLS001332387
• MLS002154209
• CHLORHEXIDINE [MART.]
• DivK1c_000761
• SPBio_000210
• SPBio_002185
• CHLORHEXIDINE [USP-RS]
• CHLORHEXIDINE [WHO-DD]
• BPBio1_000272
• BDBM51937
• BDBM64773
• cid_9552079
• HY-B1248R
• KBio1_000761
• KBio2_000717
• KBio2_003285
• KBio2_005853
• KBio3_001197
• cid_12303047
• NINDS_000761
• REGID_for_CID_9552079
• BDBM152706
• HMS1568M08
• HMS2095M08
• HMS2233B16
• HMS3712M08
• HY-B1248
• MSK10460
• Tox21_110325
• Tox21_201404
• Tox21_303445
• BDBM50170723
• s5397
• SBB057564
• STK089248
• AKOS005394319
• Tox21_110325_1
• CCG-220143
• CS-4958
• DB00878
• 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-
• IDI1_000761
• N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]
• N,N''-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
• N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca- nediimidamide
• QTL1_000020
• NCGC00016246-01
• NCGC00016246-02
• NCGC00016246-04
• NCGC00016246-05
• NCGC00016246-06
• NCGC00016246-07
• NCGC00016246-09
• NCGC00016246-13
• NCGC00016246-21
• NCGC00091025-01
• NCGC00091025-02
• NCGC00091025-04
• NCGC00247766-01
• NCGC00257242-01
• NCGC00258955-01
• (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine
• AS-12648
• DA-62275
• Chlorhexidine, purum, >=99.0% (HPLC)
• SBI-0051301.P003
• AB00053427
• C06902
• D07668
• AB00053427-24
• AB00053427-28
• AB00053427_29
• 009C673
• EN300-19626171
• SR-01000799135-5
• 1,1''-Hexamethylene bis(5-(p-chlorophenyl)biguanide)
• BRD-K52256627-300-03-3
• BRD-K52256627-300-05-8
• BRD-K52256627-300-06-6
• SR-01000799135-10
• SR-01000799135-11
• Chlorhexidine, European Pharmacopoeia (EP) Reference Standard
• 1,1'-(Hexane-1,6-diyl)bis[5-(4-chlorophenyl)biguanide] diacetate
• Chlorhexidine, United States Pharmacopeia (USP) Reference Standard
• 2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(4-chlorophenyl)-3,12-diimino-
• Chlorhexidine, Pharmaceutical Secondary Standard; Certified Reference Material
• N'',N''''''''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]
• (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylene]amino]methylene]amino]hexyl]-1-[amino-(4-chloroanilino)methylene]guanidine;hydrochloride
• (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine
• (1E)-2-[6-[[azanyl-[(E)-[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[azanyl-[(4-chlorophenyl)amino]methylidene]guanidine;hydrochloride
• {[(4-chlorophenyl)amino]iminomethyl}{[(6-{[({[(4-chlorophenyl)amino]iminomethy l}amino)iminomethyl]amino}hexyl)amino]iminomethyl}amine
• 1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine
• 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine
• 2-[amino-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexylimino]methyl]-1-(4-chlorophenyl)guanidine;hydrochloride
• N-(4-chlorophenyl)-1-{N'-[6-(N-{[N'-(4-chlorophenyl)carbamimidamido]methanimidoyl}amino)hexyl]carbamimidamido}methanimidamide

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.93%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	96.13%	94.73%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	89.43%	86.92%
CHEMBL4530	P00488	Coagulation factor XIII	89.20%	96.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.68%	94.45%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.35%	90.24%
CHEMBL3085	P43003	Excitatory amino acid transporter 1	87.08%	94.67%
CHEMBL279	P35968	Vascular endothelial growth factor receptor 2	87.04%	95.52%
CHEMBL2721	P43005	Excitatory amino acid transporter 3	86.68%	93.50%
CHEMBL4973	P43004	Excitatory amino acid transporter 2	85.65%	98.75%
CHEMBL3902	P09211	Glutathione S-transferase Pi	84.84%	93.81%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.23%	96.00%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	83.96%	92.29%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.59%	86.33%
CHEMBL4208	P20618	Proteasome component C5	80.85%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.64%	95.89%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	80.41%	95.48%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 9552079
• NPASS: NPC125416
• ChEMBL: CHEMBL790
• LOTUS: LTS0072954
• wikiData: Q15646788