Chlorhexidine Diacetate

Analyte Name

Chlorhexidine diacetate

CAS Number

56-95-1

Molecular Formula

C22 H30 Cl2 N10 . 2 C2 H4 O2

Molecular Weight

625.55

Accurate Mass

624.2455

SMILES

CC(=O)O.CC(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)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)

IUPAC

acetic acid;1-(4-chlorophenyl)-3-[N-[6-[[N-[N-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]guanidine

Alternate CAS Number

Free base: 55-56-1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Chlorhexidine Gluconate; Chlorhexidine Diacetate

Purity

>95% (HPLC)