1. Primary Information
| English name: | Chlorhexidine diacetate |
| CAS No.: | 56-95-1 |
| Molecular formula: | C26H38Cl2N10O4 |
| Molecular weight: | 625.5 g/mol |
| SMILES: | CC(=O)O.CC(=O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl |
| Structural class: | |
| Other identifiers: |
Acetate, Chlorhexidine Chlorhexidine Chlorhexidine Acetate Chlorhexidine Hydrochloride Hydrochloride, Chlorhexidine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 129 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 36 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 120 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 98% | 480 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
acetic acid;(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
4.2 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)
4.3 InChIKey
WDRFFJWBUDTUCA-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)O.CC(=O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
4.5 Isomeric SMILES
CC(=O)O.CC(=O)O.C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
