IUPAC name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILES
CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
Compound class
Antiemetics; Dopamine Antagonists; Prokinetic Agents; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; Propulsives; Dopamine D2 Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the treatment of gastroesophageal reflux disease (GERD). It is also used in treating nausea and vomiting, and to increase gastric emptying.
Common name
Metoclopramide
IUPAC name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILES
CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
INCHI
InChI=1S/C14H22ClN3O2/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
C14H22ClN3O2
Common name
Metoclopramide
IUPAC name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Molecular weight
299.796
clogP
2.051
clogS
-4.199
HBond Acceptor
3
HBond Donor
3
Total Polar Surface Area
67.59
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 |
| FDBF01357 | 2-chloro-5-methoxy-aniline |
|
O(C)c1ccc(c(c1)N)Cl | 0.0007 |
| FDBF01374 | 2-chloroaniline |
|
Nc1c(cccc1)Cl | 0.0021 |
| FDBF02787 | 4-amino-3-chloro-N-methyl-benzamide |
|
Nc1c(cc(cc1)C(=O)NC)Cl | 0.0003 |
| FDBF02788 | 4-amino-3-chloro-N-ethyl-benzamide |
|
Nc1c(cc(cc1)C(=O)NCC)Cl | 0.0003 |
