Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2666)
Drug Name
Chlorhexidine
Synonyms
ChloraPrep (TN); Chlorhexamed (TN); Chlorhexidin; Chlorhexidin [Czech]; Chlorhexidine Base; Chlorhexidine gluconate; Chlorhexidinum; Chlorhexidinum [INN-Latin]; Chlorohex (TN); Clohex (TN); Cloresidina; Cloresidina [DCIT]; Clorexil (TN); Clorhexidina; Clorhexidina [INN-Spanish]; Corsodyl (TN); Dejavu-MW (TN); Dentisept [veterinary]; AVAGARD; Avagard (TN); BIOPATCH (TN); Dentisept [veterinary] (TN); Dexidin (TN); Exidine (TN); Fimeil; Hexadol; Hibiclens; Hibiclens (TN); Hibiscrub (TN); Hibispray; Hibistat;Nolvasan; Lisium (*Dihydrochloride*); MK-412A; Merfen-incolore; Merfen-incolore (TN); Nolvasan (*Diacetate*); Novalsan; Oro-Clense; Oronine (TN); Perichlor (TN); Peridex; Peridex (TN); Peridont (TN); Periochip (TN); Periogard; Periogard Oral Rinse (TN); Perioxidina (TN); Rotersept; SOLU-I.V (TN); Savacol (TN); Savloclens; Savlon babycare; Sebidin A; Sodium Houttuyfonamide; Soretol; Sterido; Sterilon; Superspray; Suthol (TN); Tubulicid; 1,1 inverted exclamation marka-Hexamethylenebis[5-(4-chlorophenyl)biguanide]; 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide; 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane; 1,6-Bis(p-chlorophenyldiguanido)hexane; 1,6-Di(4'-chlorophenyldiguanido)hexane; 1,6-Di(N-p-chlorophenyldiguanido)hexane; Chlorhexidine (INN);Chlorhexidine [INN:BAN]; Decanoylacetaldehyde Sodium Sulfide; N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca-nediimidamide; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
Indication Candidiasis [ICD11: 1F23] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 505.4 Topological Polar Surface Area 178
Heavy Atom Count 34 Rotatable Bond Count 13
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
9552079
PubChem SID
9119 ; 600474 ; 10321154 ; 11112130 ; 11335936 ; 11361175 ; 11363131 ; 11365693 ; 11368255 ; 11371297 ; 11373913 ; 11376417 ; 11462147 ; 11466171 ; 11467291 ; 11483946 ; 11485921 ; 11487951 ; 11490155 ; 11492092 ; 11494051 ; 14884555 ; 17389113 ; 24712465 ; 24854905 ; 24857031 ; 24861545 ; 25675207 ; 26752881 ; 46506388 ; 47291166 ; 47365220 ; 47589027 ; 47662313 ; 47885444 ; 47959776 ; 48110471 ; 48185027 ; 48424952 ; 49698845 ; 49893853 ; 51091970 ; 56324225 ; 56324718 ; 56463343 ; 57372731 ; 57737486 ; 78205044 ; 81041550 ; 85174368
ChEBI ID
ChEBI:3614
CAS Number
55-56-1
TTD Drug ID
D0V4GY
Formula
C22H30Cl2N10
Canonical SMILES
C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
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
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1273 Klebsiella oxytoca Not Available Not Available [2]
References
1 Chlorhexidine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Klebsiella oxytoca with reduced sensitivity to chlorhexidine isolated from a diabetic foot ulcer. Int J Infect Dis. 2015 May;34:112-6.

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