Myrtecaine hydrochlorideProduct ingredient for Myrtecaine
- Name
- Myrtecaine hydrochloride
- Drug Entry
- Myrtecaine
- Accession Number
- DBSALT003015
- Structure
Structure for Myrtecaine hydrochloride (DBSALT003015)
- Synonyms
- Myrtecaine HCl / Myrtecaine hydrochloride / Nopoxamine hydrochloride
- UNII
- Not Available
- CAS Number
- 68342-78-9
- Weight
- Average: 301.9
Monoisotopic: 301.2172424 - Chemical Formula
- C17H32ClNO
- InChI Key
- XHEAFBNXHWYLFE-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H31NO.ClH/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4;/h7,15-16H,5-6,8-13H2,1-4H3;1H
- IUPAC Name
- [2-(2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethoxy)ethyl]diethylamine hydrochloride
- SMILES
- Cl[H].CCN(CC)CCOCCC1=CCC2CC1C2(C)C
- External Links
- ChemSpider
- 2313890
- Predicted Properties
Property Value Source Water Solubility 0.0288 mg/mL ALOGPS logP 4.6 ALOGPS logP 3.18 Chemaxon logS -4 ALOGPS pKa (Strongest Basic) 9.41 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.47 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 83.52 m3·mol-1 Chemaxon Polarizability 34.08 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon