IUPAC name
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SMILES
CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
Compound class
Anti-Anxiety Agents; Hypnotics and Sedatives; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Psycholeptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For short-term and intermittent use in patients with recurring insomnia and poor sleeping habits.
Common name
Flurazepam
IUPAC name
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SMILES
CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
INCHI
InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
FORMULA
C21H23ClFN3O
Common name
Flurazepam
IUPAC name
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Molecular weight
387.878
clogP
5.204
clogS
-6.501
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.91
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| 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 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00696 | N,N-diethylethanamine |
|
C(C)N(CC)CC | 0.0079 |
| FDBF01604 | 7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one |
|
Clc1cc2c(cc1)N(C(=O)CN=C2)C | 0.0021 |
| FDBF01605 | 7-chloro-1-ethyl-3H-1,4-benzodiazepin-2-one |
|
CCN1c2c(cc(cc2)Cl)C=NCC1=O | 0.0003 |
| FDBF01607 | 7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one |
|
Clc1cc2c(cc1)NC(=O)CN=C2 | 0.0017 |
