IUPAC name
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1-carboximidic acid
SMILES
CCN(CC)CCN=C(O)C1=C(OC)C=C(N)C(Br)=C1
Compound class
Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives;
Therapeutic area
Bromopride in indicated in the treatment of nausea and vomiting, including PONV (post-operative nausea and vomiting), gastroesophageal reflux disease (GERD/GORD), as well as endoscopy preparation and radiographic studies of the GI tract.
Common name
Bromopride
IUPAC name
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1-carboximidic acid
SMILES
CCN(CC)CCN=C(O)C1=C(OC)C=C(N)C(Br)=C1
INCHI
InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
FORMULA
C14H22BrN3O2
Common name
Bromopride
IUPAC name
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzene-1-carboximidic acid
Molecular weight
344.247
clogP
2.566
clogS
-3.928
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
71.08
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00696 | N,N-diethylethanamine |
|
C(C)N(CC)CC | 0.0079 |
| FDBF03956 | 2-bromo-5-methoxy-aniline |
|
Nc1c(ccc(c1)OC)Br | 0.0003 |
| FDBF03957 | 4-amino-3-bromo-N-methyl-benzamide |
|
CNC(=O)c1cc(c(cc1)N)Br | 0.0003 |
| FDBF03958 | 4-amino-3-bromo-N-ethyl-benzamide |
|
C(C)NC(=O)c1cc(c(cc1)N)Br | 0.0003 |
| FDBF03959 | 2-bromoaniline |
|
Nc1c(cccc1)Br | 0.0003 |
