IUPAC name
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILES
COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1
Compound class
Vasodilator Agents; Cardiovascular System; Cardiac Therapy;
Therapeutic area
Trimetazidine is indicated for use in angina pectoris.
Common name
Trimetazidine
IUPAC name
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILES
COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1
INCHI
InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
FORMULA
C14H22N2O3
Common name
Trimetazidine
IUPAC name
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Molecular weight
266.336
clogP
1.990
clogS
-3.381
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
42.96
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00298 | 1,2,3-trimethoxybenzene |
|
O(C)c1c(cccc1OC)OC | 0.0034 |
| FDBF00960 | 1,2-dimethoxy-4-methyl-benzene |
|
Cc1ccc(c(c1)OC)OC | 0.0031 |
| FDBF04062 | 1,2-dimethoxy-3-methyl-benzene |
|
Cc1c(c(ccc1)OC)OC | 0.0003 |
19 ,
2
