IUPAC name
N-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4,5-trimethoxybenzamide
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1
Compound class
Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use;
Therapeutic area
For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis.
Common name
Trimethobenzamide
IUPAC name
N-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4,5-trimethoxybenzamide
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1
INCHI
InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
FORMULA
C21H28N2O5
Common name
Trimethobenzamide
IUPAC name
N-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4,5-trimethoxybenzamide
Molecular weight
388.457
clogP
3.162
clogS
-5.387
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
69.26
Number of Rings
2
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00088 | p-cresol |
|
Cc1ccc(cc1)O | 0.0134 |
| FDBF00182 | N-benzylformamide |
|
c1(ccccc1)CNC=O | 0.0038 |
| FDBF00218 | 1-methoxy-4-methyl-benzene |
|
O(C)c1ccc(cc1)C | 0.0113 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00946 | N-[(4-hydroxyphenyl)methyl]formamide |
|
c1(ccc(cc1)O)CNC=O | 0.0017 |
| FDBF01533 | N-[(4-hydroxyphenyl)methyl]benzamide |
|
C(NC(=O)c1ccccc1)c2ccc(cc2)O | 0.0003 |
| FDBF01536 | N-[(4-methoxyphenyl)methyl]formamide |
|
C(NC=O)c1ccc(cc1)OC | 0.0003 |
30 ,
4
