CHLORHEXIDINE DIACETATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5908ZUF22Y

Structure
InChI Key WDRFFJWBUDTUCA-UHFFFAOYSA-N
Smile CC(=O)O.CC(=O)O.NC(=N\CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
InChI
InChI=1S/C22H30Cl2N10.2C2H4O2/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;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H38Cl2N10O4
Molecular Weight 625.56
AlogP 4.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 9.0
Polar Surface Area 167.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEBI 81711
ChEMBL CHEMBL486819
EPA CompTox DTXSID7032345
FDA SRS 5908ZUF22Y
KEGG C18372
SureChEMBL SCHEMBL12043
CONTENTS