IUPAC name
({12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methyl)dimethylamine
SMILES
CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12
Compound class
Antidepressive Agents; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of anxiety and status epilepticus.
Common name
Adinazolam
IUPAC name
({12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methyl)dimethylamine
SMILES
CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12
INCHI
InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
FORMULA
C19H18ClN5
Common name
Adinazolam
IUPAC name
({12-chloro-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaen-3-yl}methyl)dimethylamine
Molecular weight
351.833
clogP
3.666
clogS
-5.536
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
46.31
Number of Rings
4
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00064 | N,N-dimethylmethanamine |
|
N(C)(C)C | 0.0371 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF00878 | 8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine |
|
Clc1cc2c(cc1)-n3c(nnc3C)CN=C2 | 0.0010 |
| FDBF01234 | 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine |
|
c1(ccccc1)C2=NCc3n(cnn3)-c4c2cc(cc4)Cl | 0.0003 |
| FDBF01236 | 8-chloro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine |
|
Clc1cc2c(cc1)-n3cnnc3CN=C2 | 0.0007 |
