Common name
ethyl acetate
IUPAC name
ethyl acetate
SMILES
O(C(=O)C)CC
Common name
ethyl acetate
IUPAC name
ethyl acetate
SMILES
O(C(=O)C)CC
INCHI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
FORMULA
C4H8O2
Common name
ethyl acetate
IUPAC name
ethyl acetate
Molecular weight
88.105
clogP
0.282
clogS
-0.647
Frequency
0.0127
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01345 | Ximelagatran |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of acute deep vein thrombosis. |
| FDBD01398 | Hexaminolevulinate |
|
; | Hexaminolevulinate is indicated for use in the cystoscopic detection of non-muscle invasive papillary cancer of the bladder among patients suspected or known to have lesion(s) on the basis of a prior cystoscopy. |
| FDBD01435 | Dabigatran etexilate |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | Dabigatran is indicated for the prevention of venous thromboembolic events in patients who have undergone elective hip or knee replacement surgery (based on RE-NOVATE, RE-MODEL, and RE-MOBILIZE trials). In 2010, it was approved in the US and Canada for prevention of stroke and systemic embolism in patients with atrial fibrillation (approval based on the RE-LY trial). Contraindications: severe renal impairment (CrCL . |
| FDBD01449 | Methacholine |
|
Parasympathomimetics; Miotics; Muscarinic Agonists; Bronchoconstrictor Agents; | It is most commonly used for diagnosing bronchial hyperreactivity, using the bronchial challenge test. |
| FDBD01541 | Acetylcarnitine |
|
Acetylcarnitine is not approved for any indication in the United states and Canada, but it is approved and indicated in Italy for cerebrovascular disorders, mental function disorders, peripheral nerve disorders, diabetic neuropathy, and nutritional supplementation; Portugal for mental function disorders; Argentina for cerebral vasculopathy, nutritional supplementation, and peripheral neuropathy; Chile for dementia; Philippines for cerebrovascular disorders and mental function disorders; Australia for nutritional supplementation; and India for nutritional supplementation to increase sperm count. Acetylcarnitine also has several potential therapeutic indications for which it is still being investigated: in Norway, acetylcarnitine is in a phase IV trial for prophylactic treatment of migraines; in Italy acetylcarnitine is in a phase II trial for use in patients with type 2 Diabetes Mellitus, a phase III trial for alleviating fatigue in patients with chronic hepatitis C, and for use in patients with Minimal Hepatic Encephalopathy; in the United States acetylcarnitine is in a phase II trial for the neurodegenerative disorder Progressive Supranuclear Palsy, a phase II and III trial for reducing peripheral neuropathy in cancer patients as an adjunct to chemotherapy, a phase I and II trial for treating patients in septic shock, a phase II trial for bipolar depression, a phase II trial to reduce oxidative stress in patients with Sickle Cell disease, a phase I and II trial for chronic fatigue syndrome, and a study for preventing nerve damage in HIV patients; in China acetylcarnitine is in a phase III trial for reducing peripheral neuropathy in cancer patients as an adjunct to chemotherapy; in the United Kingdom acetylcarnitine is being investigated for preventing nerve damage in HIV patients; and in Israel acetylcarnitine is being studied for the treatment of male infertility. | |
| FDBD01556 | Icosapent ethyl |
|
Platelet Aggregation Inhibitors; Hypolipidemic Agents; Omega-3 Fatty Acids; | Icosapent ethyl is used as adjunct therapy to reduce triglyceride (TG) levels in adults with severe (>500 mg/dL) hypertriglyceridemia. |
| FDBD01867 | benfuracarb |
|
Insecticide | Insecticide |
| FDBD01878 | alanycarb |
|
Insecticide | Insecticide |
| FDBD02056 | kelevan |
|
Insecticide | Insecticide |
| FDBD02078 | phenthoate |
|
Insecticide | Insecticide |
37 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2rin_ligand_1_1.mol2 | 2rin | 1 | -6.09 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_65.mol2 | 1p6d | 1 | -6.02 | C(OC(=O)C)C | 6 |
| 1p6e_ligand_2_46.mol2 | 1p6e | 1 | -5.98 | CCOC(=O)C | 6 |
| 1p6d_ligand_2_55.mol2 | 1p6d | 1 | -5.93 | C(OC(=O)C)C | 6 |
| 2xz5_ligand_1_1.mol2 | 2xz5 | 1 | -5.89 | CCOC(=O)C | 6 |
| 1p6e_ligand_2_37.mol2 | 1p6e | 1 | -5.83 | CCOC(=O)C | 6 |
| 4tnw_ligand_2_34.mol2 | 4tnw | 1 | -5.80 | CC(=O)OCC | 6 |
| 2ha2_ligand_2_0.mol2 | 2ha2 | 1 | -5.77 | CCOC(=O)C | 6 |
181 ,
19
