Cutamesine dihydrochlorideProduct ingredient for Cutamesine
- Name
- Cutamesine dihydrochloride
- Drug Entry
- Cutamesine
- Accession Number
- DBSALT002802
- Structure
Structure for Cutamesine dihydrochloride (DBSALT002802)
- Synonyms
- Not Available
- UNII
- B66RO93FXQ
- CAS Number
- 165377-44-6
- Weight
- Average: 441.44
Monoisotopic: 440.1997337 - Chemical Formula
- C23H34Cl2N2O2
- InChI Key
- XWOXAKBQEMQMFH-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H32N2O2.2ClH/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20;;/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3;2*1H
- IUPAC Name
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
- SMILES
- Cl.Cl.COC1=C(OC)C=C(CCN2CCN(CCCC3=CC=CC=C3)CC2)C=C1
- External Links
- ChemSpider
- 8130551
- ChEMBL
- CHEMBL3216524
- Predicted Properties
Property Value Source Water Solubility 0.0432 mg/mL ALOGPS logP 3.81 ALOGPS logP 4.19 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 8.33 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 24.94 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 112.3 m3·mol-1 Chemaxon Polarizability 44.57 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon