Compound Summary
Compound Information
chlorhexidine
Compound Name: | chlorhexidine |
Compound CID: | 9552079 |
Synonyms: | chlorhexidine 55-56-1 Rotersept Fimeil Hexadol More... |
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) |
InChIKey: | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl |
Isomeric Smiles: | C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl |
Molecular Weight: | 505.4 |
Molecular Formula: | C22H30Cl2N10 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
chlorhexidine
Molecular Weight: | 505.4 |
Molecular Formula: | C22H30Cl2N10 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 34 |
Complexity: | 649 |
Synonyms
chlorhexidine
| chlorhexidine | chlorhexidine |
|---|---|
chlorhexidine |
55-56-1 |
Rotersept |
Fimeil |
Hexadol |
Soretol |
Chlorhexidin |
Chlorhexidinum |
Cloresidina DCIT |
Chlorhexidin Czech |
Chlorohexidine |
Chlorhexidinum INN-Latin |
Clorhexidina INN-Spanish |
Nolvasan |
Hibistat |
1,6-Bis(p-chlorophenyldiguanido)hexane |
1,6-Di(4-chlorophenyldiguanido)hexane |
UNII-R4KO0DY52L |
1,6-Bis(5-(p-chlorophenyl)biguandino)hexane |
Exidine |
Tubulicid |
1,1-Hexamethylenebis(5-(p-chlorophenyl)biguanide)" |
1,1-Hexamethylene bis(5-(p-chlorophenyl)biguanide)" |
2,4,11,13-Tetraazatetradecanediimidamide, N,N-bis(4-chlorophenyl)-3,12-diimino- |
Sterilon |
CHEMBL790 |
R4KO0DY52L |
MLS001332388 |
CHEBI:3614 |
Cloresidina |
Clorhexidina |
56-95-1 |
Biguanide, 1,1-hexamethylenebis(5-(p-chlorophenyl)- |
CAS-55-56-1 |
NCGC00016246-03 |
SMR000857146 |
Sterido |
Savlon babycare |
N,N-hexane-1,6-diylbisN-(4-chlorophenyl)(imidodicarbonimidic diamide) |
DSSTox_CID_13314 |
DSSTox_RID_79062 |
N,N-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide |
DSSTox_GSID_33314 |
Chlorhexidine INN:BAN |
Chlorhexidine dihydrochloride |
MLS001304094 |
1-(4-chlorophenyl)-3-N-6-N-N-(4-chlorophenyl)carbamimidoylcarbamimidoylaminohexylcarbamimidoylguanidine |
N-(4-chlorophenyl)-1-3-(6-{N-3-(4-chlorophenyl)carbamimidamidomethanimidoylamino}hexyl)carbamimidamidomethanimidamide |
CCRIS 9230 |
Chlorhexidine (INN) |
C22H30Cl2N10 |
HSDB 7196 |
Merfen-incolore (TN) |
SR-01000799135 |
Nolvasan (*Diacetate*) |
1,1-Hexamethylenebis(5-p-chlorophenylbiguanide) |
SMR000718621 |
EINECS 200-238-7 |
Lisium (*Dihydrochloride*) |
BRN 2826432 |
1,6-Di(N-p-chlorophenyldiguanido)hexane |
Dentisept veterinary (TN) |
1,6-Bis(N5-p-chlorophenyl-N1-biguanido)hexane |
Prestwick_53 |
Chlorhexidine (1) |
Hibidil (Salt/Mix) |
Hibisol (Salt/Mix) |
Chlorhexidine diacetate salt hydrate |
Hibitane (Salt/Mix) |
Hibiscrub (Salt/Mix) |
Hibispray (Salt/Mix) |
NSC526936 |
Spectrum_000237 |
Savloclens (Salt/Mix) |
3697-42-5 |
Prestwick0_000143 |
Prestwick1_000143 |
Prestwick2_000143 |
Prestwick3_000143 |
Spectrum2_000135 |
Spectrum3_000339 |
Spectrum4_000277 |
Spectrum5_001322 |
Hexamethylenebis(5-(4-chlorophenyl)biguanide) |
EC 200-238-7 |
SCHEMBL3984 |
Chlorhexidine, >=99.5% |
BSPBio_000246 |
BSPBio_001977 |
KBioGR_000774 |
KBioSS_000717 |
4-12-00-01201 (Beilstein Handbook Reference) |
MLS001332387 |
MLS002154209 |
DivK1c_000761 |
SPBio_000210 |
SPBio_002185 |
BPBio1_000272 |
DTXSID2033314 |
BDBM51937 |
BDBM64773 |
cid_9552079 |
KBio1_000761 |
KBio2_000717 |
KBio2_003285 |
KBio2_005853 |
KBio3_001197 |
2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(4-chlorophenyl)-3,12-diimino- |
cid_12303047 |
NINDS_000761 |
REGID_for_CID_9552079 |
BDBM152706 |
HMS1568M08 |
HMS2095M08 |
HMS2233B16 |
HMS3712M08 |
(1E)-2-6-amino-(E)-amino-(4-chloroanilino)methylideneaminomethylideneaminohexyl-1-amino-(4-chloroanilino)methylideneguanidine |
HY-B1248 |
Tox21_110325 |
Tox21_201404 |
Tox21_303445 |
BDBM50170723 |
s5397 |
SBB057564 |
STK089248 |
AKOS005394319 |
Tox21_110325_1 |
CCG-220143 |
CS-4958 |
DB00878 |
EBD2224760 |
MCULE-4644073142 |
2,4,11,13-Tetraazatetradecanediimidamide, N,N-bis(4-chlorophenyl)-3,12-diimino- |
IDI1_000761 |
N,N-hexane-1,6-diylbisN-(4-chlorophenyl)(imidodicarbonimidic diamide)" |
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)methyleneaminomethyleneaminohexyl-1-amino-(4-chloroanilino)methyleneguanidine |
AS-12648 |
Chlorhexidine, purum, >=99.0% (HPLC) |
SBI-0051301.P003 |
AB00053427 |
C06902 |
D07668 |
AB00053427-24 |
AB00053427-28 |
AB00053427_29 |
009C673 |
A830704 |
Q-200828 |
SR-01000799135-5 |
1,1-Hexamethylene bis(5-(p-chlorophenyl)biguanide) |
BRD-K52256627-300-03-3 |
BRD-K52256627-300-05-8 |
SR-01000799135-10 |
SR-01000799135-11 |
Chlorhexidine, European Pharmacopoeia (EP) Reference Standard |
1,1-(Hexane-1,6-diyl)bis5-(4-chlorophenyl)biguanide diacetate |
Chlorhexidine, United States Pharmacopeia (USP) Reference Standard |
Chlorhexidine, Pharmaceutical Secondary Standard; Certified Reference Material |
N,N-hexane-1,6-diylbisN-(4-chlorophenyl)(imidodicarbonimidic diamide)" |
N,N-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide |
(1E)-2-6-amino-(E)-amino-(4-chloroanilino)methyleneaminomethyleneaminohexyl-1-amino-(4-chloroanilino)methyleneguanidine;hydrochloride |
(1E)-2-6-azanyl-(E)-azanyl-(4-chlorophenyl)aminomethylideneaminomethylideneaminohexyl-1-azanyl-(4-chlorophenyl)aminomethylideneguanidine |
(1E)-2-6-azanyl-(E)-azanyl-(4-chlorophenyl)aminomethylideneaminomethylideneaminohexyl-1-azanyl-(4-chlorophenyl)aminomethylideneguanidine;hydrochloride |
{(4-chlorophenyl)aminoiminomethyl}{(6-{({(4-chlorophenyl)aminoiminomethy l}amino)iminomethylamino}hexyl)aminoiminomethyl}amine |
2-amino-6-amino-(E)-amino-(4-chloroanilino)methylideneaminomethylideneaminohexyliminomethyl-1-(4-chlorophenyl)guanidine |
2-amino-6-amino-(E)-amino-(4-chloroanilino)methylideneaminomethylideneaminohexyliminomethyl-1-(4-chlorophenyl)guanidine;hydrochloride |
Experimental Data
chlorhexidine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 46.64 | 44.66 | -4.246 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 46.24 | 48.82 | 5.583 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 15.34 | 11.45 | -25.33 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.74 | 16.62 | -0.73 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 45.82 | 46.62 | 1.754 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 49.36 | 46.71 | -5.366 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 50.43 | 48.44 | -3.955 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 61.06 | 60.57 | -0.8045 | NS | FEMALES | 33008901 | Inactive |
Experimental Data Visualization
chlorhexidine
Statistics Data
chlorhexidine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -0.73 | 1 | 2 | |
| Drosophila melanogaster | 5.583 | 1 | 6 |
Statistics Data Visualization
chlorhexidine
