Chlorhexidine

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Systematic / IUPAC Name: 1,6-Bis[5-(p-chlorophenyl)biguandino]hexane

ID: Reference1798

Other Names: Tubulicid;
Hexadol;
Rotersept;
Sterilon;
Chlorhexidin ; more

Formula: C22H30Cl2N10

Class: Therapeutics/Prescription Drugs

Spectral Data

Chlorhexidine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 77
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/13/2017 2:23:22 PM
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Identificators

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
Canonical SMILES C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
CAS 55561
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Other Names Tubulicid;
Hexadol;
Rotersept;
Sterilon;
Chlorhexidin;
Nolvasan;
Fimeil;
Soretol;
Exidine;
Microderm;
Periochip;
Oro-clense;
Savloclens;
Superspray;
Hibispray;
Sterido;
Savlon babycare;
Periogard

In Other Databases

ChemSpider 2612
ChemIDPlus 000055561
HMDb HMDB15016
DrugBank APRD00545
Wikipedia Chlorhexidine
PubChem 9552079
ChEMBL CHEMBL790
KEGG C06902; D07668
ChEBI CHEBI:3614