Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:31393 - Chlorhexidine hydrochloride
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Chlorhexidine hydrochloride
ChEBI ID
CHEBI:31393
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formulae
C22H30Cl2N10.2HCl
C22H32Cl4N10
Net Charge
0
Average Mass
578.369
Monoisotopic Mass
576.15655
InChI
InChI=1S/C22H30Cl2N10.2ClH/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)
;2*1H
InChIKey
WJLVQTJZDCGNJN-UHFFFAOYSA-N
SMILES
C1(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)=CC=C(Cl)C=C1.Cl.Cl
ChEBI Ontology
Outgoing
Chlorhexidine hydrochloride (
CHEBI:31393
)
is a
guanidines (
CHEBI:24436
)
Synonym
Source
Chlorhexidine hydrochloride
KEGG COMPOUND
Manual Xref
Database
D01345
KEGG DRUG
View more database links
Registry Number
Type
Source
3697-42-5
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017