Octenidine dihydrochlorideProduct ingredient for Octenidine
- Name
- Octenidine dihydrochloride
- Drug Entry
- Octenidine
Octenidine is under investigation in clinical trial NCT02697162 (Antiseptic-coated Intermittent Urinary Catheter).
- Accession Number
- DBSALT003019
- Structure
Structure for Octenidine dihydrochloride (DBSALT003019)
- Synonyms
- Octenidine dihydrochloride / Octenidine HCl / Octenidine hydrochloride
- External IDs
- CCG-270262 / HY-B2170A / LAS189962 / WIN-414642
- UNII
- U84956NU4B
- CAS Number
- 70775-75-6
- Weight
- Average: 623.84
Monoisotopic: 622.4508035 - Chemical Formula
- C36H64Cl2N4
- InChI Key
- SMGTYJPMKXNQFY-UHFFFAOYSA-N
- InChI
- InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H
- IUPAC Name
- N-(1-{10-[4-(octylimino)-1,4-dihydropyridin-1-yl]decyl}-1,4-dihydropyridin-4-ylidene)octan-1-amine dihydrochloride
- SMILES
- Cl.Cl.CCCCCCCCN=C1C=CN(CCCCCCCCCCN2C=CC(C=C2)=NCCCCCCCC)C=C1
- External Links
- ChemSpider
- 46370
- ChEMBL
- CHEMBL36342
- Wikipedia
- Octenidine_dihydrochloride
- Predicted Properties
Property Value Source Water Solubility 2.6e-05 mg/mL ALOGPS logP 8.23 ALOGPS logP 11.06 Chemaxon logS -7.3 ALOGPS pKa (Strongest Basic) 10.89 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 31.2 Å2 Chemaxon Rotatable Bond Count 25 Chemaxon Refractivity 179.43 m3·mol-1 Chemaxon Polarizability 75.45 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon