Myrtecaine citrateProduct ingredient for Myrtecaine
- Name
- Myrtecaine citrate
- Drug Entry
- Myrtecaine
- Accession Number
- DBSALT003016
- Structure
Structure for Myrtecaine citrate (DBSALT003016)
- Synonyms
- Myrtecaine citrate / Nopoxamine citrate
- UNII
- Not Available
- CAS Number
- 68342-79-0
- Weight
- Average: 457.564
Monoisotopic: 457.26756722 - Chemical Formula
- C23H39NO8
- InChI Key
- VEKFCVMAXIUDFU-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H31NO.C6H8O7/c1-5-18(6-2)10-12-19-11-9-14-7-8-15-13-16(14)17(15,3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7,15-16H,5-6,8-13H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid; [2-(2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethoxy)ethyl]diethylamine
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCOCCC1=CCC2CC1C2(C)C
- External Links
- ChemSpider
- 2313891
- 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 13 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 No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon