IUPAC name
N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
SMILES
COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1
Compound class
Cardiovascular Agents; Sodium Channel Blockers; Cardiovascular System; Cardiac Therapy; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of chronic angina. It should be used in combination with amlodipine, beta-blockers or nitrates.
Common name
Ranolazine
IUPAC name
N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
SMILES
COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1
INCHI
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
FORMULA
C24H33N3O4
Common name
Ranolazine
IUPAC name
N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}acetamide
Molecular weight
427.537
clogP
3.066
clogS
-4.865
HBond Acceptor
6
HBond Donor
2
Total Polar Surface Area
74.27
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00215 | 2-phenoxyethanol |
|
C(Oc1ccccc1)CO | 0.0072 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF00477 | 2-methoxyphenol |
|
c1(c(cccc1)O)OC | 0.0079 |
| FDBF00495 | N-(2,6-dimethylphenyl)formamide |
|
O=CNc1c(cccc1C)C | 0.0065 |
