Ketocaine hydrochlorideProduct ingredient for Ketocaine
- Name
- Ketocaine hydrochloride
- Drug Entry
- Ketocaine
- Accession Number
- DBSALT003138
- Structure
Structure for Ketocaine hydrochloride (DBSALT003138)
- Synonyms
- Ketocaine HCl
- External IDs
- 214-132-3
- UNII
- LM1ZPQ7AX0
- CAS Number
- 1092-47-3
- Weight
- Average: 327.89
Monoisotopic: 327.1965069 - Chemical Formula
- C18H30ClNO2
- InChI Key
- KLTGHWCBYMXNQD-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H29NO2.ClH/c1-6-9-17(20)16-10-7-8-11-18(16)21-13-12-19(14(2)3)15(4)5;/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3;1H
- IUPAC Name
- 1-(2-{2-[bis(propan-2-yl)amino]ethoxy}phenyl)butan-1-one hydrochloride
- SMILES
- Cl[H].CCCC(=O)C1=C(OCCN(C(C)C)C(C)C)C=CC=C1
- External Links
- ChemSpider
- 2340849
- Predicted Properties
Property Value Source Water Solubility 0.101 mg/mL ALOGPS logP 4.22 ALOGPS logP 4.08 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 16.86 Chemaxon pKa (Strongest Basic) 9.69 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 88.51 m3·mol-1 Chemaxon Polarizability 34.6 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon