HuagongsheHuagongshe Chemistry Print Report · For research reference only
Octenidine
NeoKodan · Win-41464 · -yl-4(1H) · Octenisept · Octeniderm · OCTENIDINE · Win-41464-2 · bis(pyridin-1(1H)
Identifiers & Physical Properties
| CAS No. | 71251-02-0 |
|---|---|
| Molecular formula | C36H62N4 |
| Average molar mass | 550.9 g/mol |
| Monoisotopic mass | 550.49744798 g/mol |
| SMILES | CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1 |
| InChIKey | ZVXNYZWXUADSRV-UHFFFAOYSA-N |
| PubChem CID | 51167 |
| ChEMBL | CHEMBL1199480 |
| ChEBI | CHEBI:135826 |
| EC No. | 615-267-4 |
| DTXSID | DTXSID70221427 |
Chemical & Physical Properties
| XLogP | 11 |
|---|---|
| Topological polar surface area | 31.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 25 |
| Heavy atoms | 40 |
| Formal charge | 0 |
| Complexity | 691 |
| Drugs | PharmaceuticalsPharmaceuticals -> Listed in ZINC15 |
| Boiling point | 609.3±55.0 °C(Predicted) |
| Density | 0.94±0.1 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 14.60±0.70(Predicted) |
| InChIKey | ZVXNYZWXUADSRV-UHFFFAOYSA-N |
| SMILES | C(N1C=C/C(=N/CCCCCCCC)/C=C1)CCCCCCCCCN1C=C/C(=N/CCCCCCCC)/C=C1 |
| FDA UNII | OZE0372S5A |
| ATC code | D08AJ57,G01AX66,R02AA21 |
Applications & Uses
Uses
Anti-infective, topical.