IUPAC name
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12
Compound class
Antipsychotic Agents; Adjuvants, Anesthesia; Adrenergic alpha-1 Receptor Antagonists; Antiemetics; Dopamine Antagonists; Nervous System; Psycholeptics; Butyrophenone Derivatives; Dopamine D2 Receptor Antagonists;
Therapeutic area
Droperidol is ssed to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures.
Common name
Droperidol
IUPAC name
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12
INCHI
InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
FORMULA
C22H22FN3O2
Common name
Droperidol
IUPAC name
1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
Molecular weight
379.427
clogP
4.171
clogS
-5.156
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
58.1
Number of Rings
4
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00098 | acetaldehyde |
|
CC=O | 0.0182 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00981 | 1-methyl-3,6-dihydro-2H-pyridine |
|
CN1CCC=CC1 | 0.0003 |
| FDBF00982 | 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one |
|
N1CCC(=CC1)n2c(=O)[nH]c3c2cccc3 | 0.0003 |
| FDBF00984 | 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazol-2-one |
|
CN1CCC(=CC1)n2c(=O)[nH]c3c2cccc3 | 0.0003 |
| FDBF00985 | 1-(4-fluorophenyl)ethanone |
|
CC(=O)c1ccc(cc1)F | 0.0014 |
| FDBF00989 | 1-(4-fluorophenyl)propan-1-one |
|
C(C)C(=O)c1ccc(cc1)F | 0.0014 |
| FDBF00990 | 1-propyl-3,6-dihydro-2H-pyridine |
|
CCCN1CCC=CC1 | 0.0003 |
| FDBF00992 | 1,3-dihydrobenzimidazol-2-one |
|
O=c1[nH]c2c([nH]1)cccc2 | 0.0017 |
| FDBF00993 | 1,2,3,6-tetrahydropyridine |
|
N1CCC=CC1 | 0.0003 |
