Responsive image

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

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

Responsive image

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
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00042 propan-2-ol Responsive image CC(O)C 0.0278
FDBF00065 ethylene glycol Responsive image C(O)CO 0.0265
FDBF00220 (2R)-1-phenoxypropan-2-ol Responsive image CC(COc1ccccc1)O 0.0045
FDBF00502 m-xylene Responsive image c1c(cccc1C)C 0.0144
28 , 3